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9e75f44f1acdf35c2b091b900a920ddc21bad0f0
digital-trial/digital-trial/Phase1-2proteins.tsv
Olamide Isreal 9e75f44f1a Digital Trials pipeline configured for WES 
Source-only snapshot of the cluster branch for WES execution. Large
reference files (HPA/MANE/ensemble FASTA, model weights, ~597 MB) are
omitted: they are baked into the container images at build time and
mounted from the dreamdock-data PVC at runtime, and exceed the Gitea
request size limit.

Pipeline entry point is main.nf, which orchestrates the biotransformer,
conplex and tissue modules as a single workflow. Ligand inputs are read
from the eureka workspace; protein_zarr and chembl_db come from the
dreamdock-data PVC.
2026-07-27 21:59:52 +01:00

4.6 KiB
Raw Blame History

1MoleculeTypeUniprotSymbol
2Phase1P22760AADAC
3Phase1P08684CYP3A4
4Phase1Q96SQ9CYP2S1
5Phase1P10635CYP2D6
6Phase1Q8TAV3CYP2W1
7Phase1Q9HB55CYP3A43
8Phase1Q5TCH4CYP4A22
9Phase1Q6NT55CYP4F22
10Phase1P13584CYP4B1
11Phase1Q02928CYP4A11
12Phase1P78329CYP4F2
13Phase1Q08477CYP4F3
14Phase1Q9HBI6CYP4F11
15Phase1Q7Z449CYP2U1
16Phase1Q9UNU6CYP8B1
17Phase1Q16647PTGIS
18Phase1P98187CYP4F8
19Phase1P24557TBXAS1
20Phase1Q9HCS2CYP4F12
21Phase1P22680CYP7A1
22Phase1O75881CYP7B1
23Phase1P19793RXRA
24Phase1Q15788NCOA1
25Phase1Q96RI1NR1H4
26Phase1Q15596NCOA2
27Phase1P19099CYP11B2
28Phase1P11511CYP19A1
29Phase1Q16678CYP1B1
30Phase1A9YTQ3AHRR
31Phase1P27540ARNT
32Phase1Q9HBZ2ARNT2
33Phase1P35869AHR
34Phase1P08686CYP21A2
35Phase1P10109FDX1
36Phase1Q6P4F2FDX2
37Phase1P05108CYP11A1
38Phase1P22570FDXR
39Phase1P15538CYP11B1
40Phase1P01189POMC
41Phase1Q9NYL5CYP39A1
42Phase1Q16850CYP51A1
43Phase1Q6ZWL3CYP4V2
44Phase1Q02318CYP27A1
45Phase1Q9Y6A2CYP46A1
46Phase1P20853CYP2A7
47Phase1P20813CYP2B6
48Phase1Q16696CYP2A13
49Phase1P24903CYP2F1
50Phase1P51589CYP2J2
51Phase1P05181CYP2E1
52Phase1P11509CYP2A6
53Phase1P33260CYP2C18
54Phase1P11712CYP2C9
55Phase1P33261CYP2C19
56Phase1P10632CYP2C8
57Phase1P20815CYP3A5
58Phase1P24462CYP3A7
59Phase1P05177CYP1A2
60Phase1P04798CYP1A1
61Phase1P16435POR
62Phase1Q6V0L0CYP26C1
63Phase1Q9NR63CYP26B1
64Phase1O43174CYP26A1
65Phase1Q6VVX0CYP2R1
66Phase1Q07973CYP24A1
67Phase1O15528CYP27B1
68Phase1Q9NUB1ACSS1
69Phase1Q9NR19ACSS2
70Phase1P07327ADH1A
71Phase1P00325ADH1B
72Phase1P08319ADH4
73Phase1P00326ADH1C
74Phase1P28332ADH6
75Phase1P40394ADH7
76Phase1P05091ALDH2
77Phase1P00352ALDH1A1
78Phase1P11766ADH5
79Phase1P30837ALDH1B1
80Phase1Q86WA6BPHL
81Phase1P23219PTGS1
82Phase1P19801AOC1
83Phase1P31513FMO3
84Phase1Q01740FMO1
85Phase1Q99518FMO2
86Phase1Q969Z3MTARC2
87Phase1P00387CYB5R3
88Phase1Q5VT66MTARC1
89Phase1O43169CYB5B
90Phase1Q6QHF9PAOX
91Phase1Q9NWM0-3SMOX
92Phase1P27338MAOB
93Phase1P21397MAOA
94Phase1Q15185PTGES3
95Phase1P08238HSP90AB1
96Phase1O00170AIP
97Phase1P16083NQO2
98Phase1P23141CES1
99Phase1O00748CES2
100Phase1P30838ALDH3A1
101Phase1P07099EPHX1
102Phase1Q6UWW8CES3
103Phase1Q96DG6CMBL
104Phase1O75106AOC2
105Phase1O75828CBR3
106Phase1Q16853AOC3
107Phase2P18440NAT1
108Phase2P11245NAT2
109Phase2P05177CYP1A2
110Phase2P23526AHCY
111Phase2Q9HBK9AS3MT
112Phase2Q99707MTR
113Phase2Q9UBK8MTRR
114Phase2P21964COMT
115Phase2P78417GSTO1
116Phase2P40261NNMT
117Phase2Q9Y5N5N6AMT1
118Phase2Q9UI30TRMT112
119Phase2P51580TPMT
120Phase2Q00266MAT1A
121Phase2P31153MAT2A
122Phase2Q9NZL9MAT2B
123Phase2Q68CK6ACSM2B
124Phase2Q08AH1ACSM1
125Phase2Q8WU03GLYATL2
126Phase2Q5SZD4GLYATL3
127Phase2Q969I3GLYATL1
128Phase2Q6IB77GLYAT
129Phase2P0C7M7ACSM4
130Phase2Q08AH3ACSM2A
131Phase2Q6NUN0ACSM5
132Phase2P50225SULT1A1
133Phase2O00204-1SULT2B1
134Phase2P50226SULT1A2
135Phase2O75897SULT1C4
136Phase2Q9BR01SULT4A1
137Phase2O00204-2SULT2B1
138Phase2P49888SULT1E1
139Phase2Q96IU4ABHD14B
140Phase2O00338SULT1C2
141Phase2P0DMM9SULT1A3
142Phase2Q06520SULT2A1
143Phase2O43704SULT1B1
144Phase2Q6IMI4SULT6B1
145Phase2Q9NX62BPNT2
146Phase2Q8TB61SLC35B2
147Phase2Q9H1N7SLC35B3
148Phase2P50443SLC26A2
149Phase2Q9H2B4SLC26A1
150Phase2O43252PAPSS1
151Phase2O95340PAPSS2
152Phase2P0DMN0SULT1A4
153Phase2O95861BPNT1
154Phase2O60704TPST2
155Phase2O60507TPST1
156Phase2Q9NZ53PODXL2
157Phase2O75223GGCT
158Phase2Q96KP4CNDP2
159Phase2Q6P531GGT6
160Phase2P36269GGT5
161Phase2A6NGU5GGT3P
162Phase2Q9UJ14GGT7
163Phase2P19440GGT1
164Phase2P48637GSS
165Phase2O14841OPLAH
166Phase2P48506GCLC
167Phase2P48507GCLM
168Phase2Q8WUX2CHAC2
169Phase2Q9BUX1CHAC1
170Phase2P0CG29GSTT2
171Phase2Q7RTV2GSTA5
172Phase2O15217GSTA4
173Phase2O60760HPGDS
174Phase2P09211GSTP1
175Phase2P0CG30GSTT2B
176Phase2Q9H4Y5GSTO2
177Phase2P21266GSTM3
178Phase2P30711GSTT1
179Phase2P09488GSTM1
180Phase2Q16772GSTA3
181Phase2Q03013GSTM4
182Phase2O43708GSTZ1
183Phase2P09210GSTA2
184Phase2P08263GSTA1
185Phase2P28161GSTM2
186Phase2P46439GSTM5
187Phase2Q9Y2Q3GSTK1
188Phase2P10620MGST1
189Phase2O14880MGST3
190Phase2Q99735MGST2
191Phase2P10768ESD
192Phase2P14550AKR1A1
193Phase2P0DTE4UGT2A1
194Phase2P0DTE5UGT2A1
195Phase2Q9BY64UGT2B28
196Phase2P35504UGT1A5
197Phase2P36537UGT2B10
198Phase2O75310UGT2B11
199Phase2Q9HAW7UGT1A7
200Phase2O75795UGT2B17
201Phase2P16662UGT2B7
202Phase2Q9HAW9UGT1A8
203Phase2Q6NUS8UGT3A1
204Phase2P35503UGT1A3
205Phase2O60656UGT1A9
206Phase2P54855UGT2B15
207Phase2P06133UGT2B4
208Phase2P22310UGT1A4
209Phase2Q6UWM9UGT2A3
210Phase2Q3SY77UGT3A2
211Phase2P22309UGT1A1
212Phase2P19224UGT1A6
213Phase2Q9NUJ1ABHD10
214Phase2Q9NTN3SLC35D1
215Phase2Q16851UGP2
216Phase2O60701UGDH
217Phase2Q9HAW8UGT1A10
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