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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02177802

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.75
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.71
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.71
678(3-{5-[AMINO(IMINIO)METHYL]-1H-
INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE
A1O3L0.72
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole
A,B2R0G0.72
DSI4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-
8-METHYL-3,6,7,8-TETRAHYDRO-3,6-
DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
B1DSI0.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.71
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
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid
A3FR40.74
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE
A,B2DXS0.7
TRO2-HYDROXY-TRYPTOPHANA1KB00.71
TRO2-HYDROXY-TRYPTOPHANA1G3P0.71
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.72
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
A,B2I0E0.72
MMPN-METHYLMESOPORPHYRINA,B,C,D3FCT0.72
MMPN-METHYLMESOPORPHYRINL1N7M0.72
MMPN-METHYLMESOPORPHYRINB,H1NGW0.72
MMPN-METHYLMESOPORPHYRINA1C1H0.72
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.71
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.71
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
A2GHG0.71
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.72
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.72
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.72
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.72
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.72
PQQPYRROLOQUINOLINE QUINONEA1KV90.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.72
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.72
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.72
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.72
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.72
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.72
PQQPYRROLOQUINOLINE QUINONEA1KB00.72
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.72
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.72
PQQPYRROLOQUINOLINE QUINONEA,C1G720.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.78
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.78
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.78
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.78
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.78
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.78
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.78
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.73
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.78
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.75
UP3A3D8N0.75
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.71
4IN4-AMINO-L-TRYPTOPHANA1OXF0.71
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE
A1WVX0.72
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.8
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.73
BH1BACTERIOPHEOPHYTINA,B2BNS0.73
BH1BACTERIOPHEOPHYTINA,B2BNP0.73
3DE3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-
4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2C0.71
8249-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE
A1X8B0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.78
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
1PYH0.78
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.78
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.78
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.78
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.78
BPHBACTERIOPHEOPHYTIN AL,M1YF60.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.78
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.78
BPHBACTERIOPHEOPHYTIN AC1E140.78
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.78
BPHBACTERIOPHEOPHYTIN AL,M1PST0.78
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.78
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.78
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.78
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.78
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.78
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.78
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.78
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.78
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.78
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.78
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.78
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.78
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.78
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.78
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.78
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.78
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.78
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.78
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.78
BPHBACTERIOPHEOPHYTIN AC1E6D0.78
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.78
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.78
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.78
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.78
BPHBACTERIOPHEOPHYTIN AL,M1JH00.78
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.78
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.78
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.78
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.78
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.78
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.78
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.78
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.78
BPHBACTERIOPHEOPHYTIN AL,M1YST0.78
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.78
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.78
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGF0.72
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGG0.72
5DE1-(4-AMINOPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2E0.7
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.71
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.71
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.74
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE
A1O2T0.72
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
DRK3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-
1H,2'H-2,3'-biindol-2'-one
A3F3Z0.7
DRK3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-
1H,2'H-2,3'-biindol-2'-one
A,C3EB00.7
3309-HYDROXY-6-(3-HYDROXYPROPYL)-4-
(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE
A2IO60.72
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
A2BRL0.71
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.8
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.71
PP9PROTOPORPHYRIN IXA1Z530.73
PP9PROTOPORPHYRIN IXA,B,C,D2HRE0.73
PP9PROTOPORPHYRIN IXA,B2QD50.73
PP9PROTOPORPHYRIN IXA1HRS0.73
PP9PROTOPORPHYRIN IXA,B,C,D2QD10.73
CR32-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
A1O2H0.71
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.72
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3G0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3E0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
H,I1O2G0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
B1O5A0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3F0.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.71
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.71
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.75
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.72
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.73
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.74
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,B2V5X0.71
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID
A2IN60.73
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