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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01683564

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
240(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
A,B2Q590.72
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGF0.75
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGG0.75
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.74
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.74
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.74
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.74
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.74
PQQPYRROLOQUINOLINE QUINONEA1KV90.74
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.74
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.74
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.74
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.74
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.74
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.74
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.74
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.74
PQQPYRROLOQUINOLINE QUINONEA1KB00.74
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.74
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.74
PQQPYRROLOQUINOLINE QUINONEA,C1G720.74
8IN[3-(1-BENZYL-3-CARBAMOYLMETHYL-
2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-
]-PHOSPHONIC ACID
A1DB40.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.75
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE
A,B1FGI0.72
IMS2-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1S)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
P2OYU0.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.73
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z
3A0H0.79
PHOPHEOPHYTIN AZ1W5C0.79
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.79
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.79
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.79
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W
1IZL0.79
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V
1S5L0.79
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1ILX0.79
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1FE10.79
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.79
IM82-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1R)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
P2OYE0.71
IMNINDOMETHACINA2BXM0.72
IMNINDOMETHACINA3FO70.72
IMNINDOMETHACINA,B,C,D1Z9H0.72
IMNINDOMETHACINA2BXQ0.72
IMNINDOMETHACINA,B,C,D4COX0.72
IMNINDOMETHACINA2ALT0.72
IMNINDOMETHACINA2OTH0.72
IMNINDOMETHACINA,B2DM60.72
IMNINDOMETHACINA1S2A0.72
IMNINDOMETHACINA2ZB80.72
IMNINDOMETHACINA3HWZ0.72
IMNINDOMETHACINA2BXK0.72
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.72
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.73
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.72
678(3-{5-[AMINO(IMINIO)METHYL]-1H-
INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE
A1O3L0.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.72
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.75
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.73
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.77
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
1PYH0.77
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.77
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.77
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.77
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.77
BPHBACTERIOPHEOPHYTIN AL,M1YF60.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.77
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.77
BPHBACTERIOPHEOPHYTIN AC1E140.77
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.77
BPHBACTERIOPHEOPHYTIN AL,M1PST0.77
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.77
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.77
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.77
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.77
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.77
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.77
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.77
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.77
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.77
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.77
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.77
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.77
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.77
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.77
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.77
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.77
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.77
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.77
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.77
BPHBACTERIOPHEOPHYTIN AC1E6D0.77
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.77
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.77
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.77
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.77
BPHBACTERIOPHEOPHYTIN AL,M1JH00.77
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.77
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.77
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.77
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.77
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.77
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.77
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.77
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.77
BPHBACTERIOPHEOPHYTIN AL,M1YST0.77
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.77
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.77
V5X(2R)-N~8~-HYDROXY-2-{[(5-METHOXY-
2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-
N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE
A,B2V5X0.72
S55METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-
D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-
TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-
3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE
A,B2JF60.71
S55METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-
D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-
TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-
3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE
A,B2V910.71
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE
A,B,C,D1H690.71
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole
A,B2R0G0.74
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.73
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE
A1WVX0.7
SA32,10-DIHYDROXY-12-(BETA-D-GLUCOPYRANOSYL)-
6,7,12,13-TETRAHYDROINDOLO[2,3-
A]PYRROLO[3,4-C]CARBAZOLE-5,7-DIONE
A,C,D1SEU0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.77
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.77
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.77
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.77
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.77
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.77
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.77
MOCCARBAMIC ACID 2,6-DIAMINO-5-METHYL-
4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-
3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER
A199D0.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.72
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.72
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.72
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.72
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.74
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.75
BH1BACTERIOPHEOPHYTINA,B2BNS0.75
BH1BACTERIOPHEOPHYTINA,B2BNP0.75
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER
A,B1M490.72
225FELODIPINEA2NNJ0.7
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan
A3BKL0.72
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide
A,B2ZB20.71
8249-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE
A1X8B0.76
DRY[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-
1H-INDOL-5-YL)OXY]ACETIC ACID
A2HWQ0.7
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.76
241(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
A,B2Q5P0.72
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.73
VLB(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-
VINCALEUKOBLASTINE
A,B,C,D1Z2B0.7
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE
A1O2T0.7
UP3A3D8N0.71
DUO4-HYDROXY-2,8-DIMETHYL-1-OXO-6-
(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-
1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA-
AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
B107D0.7
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.78
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.72
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.72
3IL3-(INDOL-3-YL) LACTATEA2A7P0.72
DSI4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-
8-METHYL-3,6,7,8-TETRAHYDRO-3,6-
DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
B1DSI0.73
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.73
9365-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBQ0.72
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.75
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.73
3CS3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-
IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-
1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID
A,B,C,D,E,F2Q7R0.7
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.72
FLXN-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL-
(R)-[1-AMINO-2(1H-INDOL-3-YL)ETHYL]-
PHOSPHONIC ACID
A4AIG0.7
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.75
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid
A3FR40.71
TRO2-HYDROXY-TRYPTOPHANA1KB00.73
TRO2-HYDROXY-TRYPTOPHANA1G3P0.73
PP9PROTOPORPHYRIN IXA1Z530.7
PP9PROTOPORPHYRIN IXA,B,C,D2HRE0.7
PP9PROTOPORPHYRIN IXA,B2QD50.7
PP9PROTOPORPHYRIN IXA1HRS0.7
PP9PROTOPORPHYRIN IXA,B,C,D2QD10.7
3309-HYDROXY-6-(3-HYDROXYPROPYL)-4-
(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE
A2IO60.75
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID
A2IN60.75
A535-{5-[(S)-2-AMINO-3-(1H-INDOL-3-
YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-
(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-
1,3-DIHYDRO-INDOL-2-ONE
A2GHG0.72
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.7
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.75