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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02090531

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
225FELODIPINEA2NNJ0.74
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID
A,C1RHM0.74
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N
A1AU40.76
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.7
REW(2S,3S)-1-(4-METHOXYPHENYL)-3-(3-
(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-
4-OXOAZETIDINE-2-CARBOXYLIC ACID
A2REW0.71
1177-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-
3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-
1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWK0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.74
BPHBACTERIOPHEOPHYTIN A1,2,3,5,6,7,
8,A,B,D,E,F,
G,H,I,J,K,L,
M,N,P,R,S,T,
U,V,W,Y
1PYH0.74
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.74
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.74
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.74
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.74
BPHBACTERIOPHEOPHYTIN AL,M1YF60.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.74
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.74
BPHBACTERIOPHEOPHYTIN AC1E140.74
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.74
BPHBACTERIOPHEOPHYTIN AL,M1PST0.74
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.74
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.74
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.74
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.74
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.74
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.74
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.74
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.74
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.74
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.74
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.74
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.74
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.74
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.74
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.74
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.74
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.74
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.74
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.74
BPHBACTERIOPHEOPHYTIN AC1E6D0.74
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.74
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.74
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.74
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.74
BPHBACTERIOPHEOPHYTIN AL,M1JH00.74
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.74
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.74
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.74
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.74
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.74
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.74
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.74
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.74
BPHBACTERIOPHEOPHYTIN AL,M1YST0.74
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.74
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.74
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER
A,B1M490.73
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.71
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1RDT0.71
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1FM90.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.74
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.74
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.74
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.74
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.74
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.74
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.74
3HI(3R,5R)-7-[2-(4-fluorophenyl)-4-
[(2-hydroxyphenyl)carbamoyl]-5-
(1-methylethyl)-3-phenyl-1H-pyrrol-
1-yl]-3,5-dihydroxyheptanoic acid
B,C,D3CCT0.71
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE
A,B2DXS0.7
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A2HOB0.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B2AMQ0.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B,C,D3D230.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B2Q6F0.71
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER
A1ME30.71
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
A2AYW0.73
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.73
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.77
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.77
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.77
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.77
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.77
PQQPYRROLOQUINOLINE QUINONEA1KV90.77
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.77
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.77
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.77
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.77
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.77
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.77
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.77
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.77
PQQPYRROLOQUINOLINE QUINONEA1KB00.77
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.77
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.77
PQQPYRROLOQUINOLINE QUINONEA,C1G720.77
VRSVIRGINIAMYCIN S10,1,2,3,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
1YIT0.72
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE
A,B,C,D1H690.76
MOCCARBAMIC ACID 2,6-DIAMINO-5-METHYL-
4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-
3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER
A199D0.76
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.73
BH1BACTERIOPHEOPHYTINA,B2BNS0.73
BH1BACTERIOPHEOPHYTINA,B2BNP0.73
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.72
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
A2BRL0.73
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.71
7HI(3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-
2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-
1(4H)-yl]-3,5-dihydroxyheptanoic acid
A,B,C,D3CD50.74
XINmethyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-
1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-
2-oxo-2,3-dihydro-1H-indole-6-carboxylate
A3C7Q0.7
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE
A,B2H960.71
642(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-
4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-
1-carboxylic acid
A,B3EWJ0.71
GW4N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-
3-{4-[2-(5-METHYL-2-PHENYL-1,3-
OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE
A,B2POB0.71
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1K740.71
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,C,E,G1K7L0.71
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.77
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,C,D2Q1L0.72
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,C,D3CD70.72
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.71
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide
A,B3G0F0.71
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide
A3G0E0.71
DSI4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-
8-METHYL-3,6,7,8-TETRAHYDRO-3,6-
DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
B1DSI0.7
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.7
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A1C8L0.75
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A2AMV0.75
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A3AMV0.75
T42MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACIDH,I1AI80.7
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.73
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.73
1103-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-
3-[(4-OXO-2-PHENYLMETHANESULFONYL-
1,2,3,4-TETRAHYDRO-PYRROLO[1,2-
A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER
A1G370.72
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.72
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1HFR0.7
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1DAJ0.7
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1HFQ0.7
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1HFP0.7
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.77
AG74-{2-(4-FLUORO-BENZYL)-6-METHYL-
5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-
AMINO]-4-OXO-HEPTANOYLAMINO}-5-
(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
A1CQQ0.72
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.71
HR2(3R,5R)-7-[3-(4-FLUOROPHENYL)-1-
ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-
HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-
YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,B,C,D2Q6B0.7
E093-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-
2-[1H-INDOLE-4,7-DIONE]-PROPANOL
A,B,C,D1GG50.72
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
A,B2FV50.71
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z
3A0H0.73
PHOPHEOPHYTIN AZ1W5C0.73
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.73
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.73
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.73
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W
1IZL0.73
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V
1S5L0.73
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1ILX0.73
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1FE10.73
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.73
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.74
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.71