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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01520270

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3IL3-(INDOL-3-YL) LACTATEA2A7P0.71
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.78
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.74
8IN[3-(1-BENZYL-3-CARBAMOYLMETHYL-
2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-
]-PHOSPHONIC ACID
A1DB40.71
DSI4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-
8-METHYL-3,6,7,8-TETRAHYDRO-3,6-
DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
B1DSI0.76
IMS2-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1S)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
P2OYU0.71
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.72
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.7
IM82-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1R)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
P2OYE0.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGF0.73
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGG0.73
241(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
A,B2Q5P0.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
3309-HYDROXY-6-(3-HYDROXYPROPYL)-4-
(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE
A2IO60.71
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE
A,B1FGI0.7
UP3A3D8N0.7
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
B107D0.71
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER
A,B1M490.74
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,B2V5X0.73
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID
A2IN60.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.79
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.72
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.72
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.72
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide
A,B2ZB20.72
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.72
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.74
BH1BACTERIOPHEOPHYTINA,B2BNS0.74
BH1BACTERIOPHEOPHYTINA,B2BNP0.74
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.7
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
DSA4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-
1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-
3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
A1DSM0.71
DSA4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-
1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-
3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
B1DSA0.71
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE
B2TYS0.7
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.73
8249-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE
A1X8B0.73
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.8
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole
A,B2R0G0.75
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
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.78
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.78
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.78
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.78
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.78
PQQPYRROLOQUINOLINE QUINONEA1KV90.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.78
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.78
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.78
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.78
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.78
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.78
PQQPYRROLOQUINOLINE QUINONEA1KB00.78
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.78
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.78
PQQPYRROLOQUINOLINE QUINONEA,C1G720.78
RX3N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-
2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-
L-TRYPTOPHAN
A2OC20.71
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID
A1M4A0.71
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.76
IOGN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-
1H-INDOL-3-YL]ACETAMIDE
A2IOG0.7
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.76
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,F2Q7R0.73
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1RDT0.7
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1FM90.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.73
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.73
6691-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-
1H-INDOLE-2-CARBOXYLIC ACID
A1MZS0.71
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.71
IMNINDOMETHACINA2BXM0.71
IMNINDOMETHACINA3FO70.71
IMNINDOMETHACINA,B,C,D1Z9H0.71
IMNINDOMETHACINA2BXQ0.71
IMNINDOMETHACINA,B,C,D4COX0.71
IMNINDOMETHACINA2ALT0.71
IMNINDOMETHACINA2OTH0.71
IMNINDOMETHACINA,B2DM60.71
IMNINDOMETHACINA1S2A0.71
IMNINDOMETHACINA2ZB80.71
IMNINDOMETHACINA3HWZ0.71
IMNINDOMETHACINA2BXK0.71
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE
A,B2DXS0.71
FLXN-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL-
(R)-[1-AMINO-2(1H-INDOL-3-YL)ETHYL]-
PHOSPHONIC ACID
A4AIG0.74
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.72
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.72
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z
3A0H0.78
PHOPHEOPHYTIN AZ1W5C0.78
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.78
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.78
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.78
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W
1IZL0.78
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V
1S5L0.78
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1ILX0.78
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1FE10.78
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.78
240(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
A,B2Q590.71
V25ethyl 3-[(E)-2-amino-1-cyanoethenyl]-
6,7-dichloro-1-methyl-1H-indole-
2-carboxylate
A2VAG0.73
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.73
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE
A,B,C,D1H690.7
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.72
4P54H-furo[3,2-b]pyrrole-5-carboxylic acidA,B,C,D3CUK0.7
TRO2-HYDROXY-TRYPTOPHANA1KB00.73
TRO2-HYDROXY-TRYPTOPHANA1G3P0.73
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid
A3A1L0.73
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan
A3BKL0.73
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.73
CP4BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-
AMINOETHYL]-ETHYLENE GLYCOL
A,B1EM60.7
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
YPA(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-
PHENYL)-2-ETHOXY-PROPIONIC ACID
A1KNU0.7
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.75