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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00077613

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.73
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.73
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.73
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.73
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.73
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.73
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.73
RXP1-BENZYLOXYCARBONYLAMINO-2-PHENYL-
ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-
3-YL)-ETHYLCARBAMOYL]-5-PHENYL-
PENTYL}-PHOSPHINIC ACID
A,B,C,D,E,F1HV50.71
2885-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-
(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-
AMIDE
A,B1XOI0.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.71
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.71
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.81
IOGN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-
1H-INDOL-3-YL]ACETAMIDE
A2IOG0.71
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE
A,B2DXS0.72
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.73
DRK3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-
1H,2'H-2,3'-biindol-2'-one
A3F3Z0.71
DRK3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-
1H,2'H-2,3'-biindol-2'-one
A,C3EB00.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.73
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
1PYH0.73
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.73
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.73
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.73
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.73
BPHBACTERIOPHEOPHYTIN AL,M1YF60.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.73
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.73
BPHBACTERIOPHEOPHYTIN AC1E140.73
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.73
BPHBACTERIOPHEOPHYTIN AL,M1PST0.73
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.73
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.73
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.73
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.73
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.73
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.73
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.73
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.73
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.73
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.73
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.73
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.73
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.73
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.73
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.73
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.73
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.73
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.73
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.73
BPHBACTERIOPHEOPHYTIN AC1E6D0.73
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.73
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.73
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.73
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.73
BPHBACTERIOPHEOPHYTIN AL,M1JH00.73
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.73
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.73
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.73
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.73
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.73
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.73
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.73
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.73
BPHBACTERIOPHEOPHYTIN AL,M1YST0.73
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.73
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.73
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.73
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.73
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.73
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.73
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.73
PQQPYRROLOQUINOLINE QUINONEA1KV90.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.73
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.73
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.73
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.73
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.73
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.73
PQQPYRROLOQUINOLINE QUINONEA1KB00.73
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.73
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.73
PQQPYRROLOQUINOLINE QUINONEA,C1G720.73
TRO2-HYDROXY-TRYPTOPHANA1KB00.71
TRO2-HYDROXY-TRYPTOPHANA1G3P0.71
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.75
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.74
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.72
B4Cbenzyl [(1S)-5-amino-1-{[(1S)-1-
({(1S)-5-amino-1-[(S)-1,3-benzoxazol-
2-yl(hydroxy)methyl]pentyl}carbamoyl)-
3-phenylpropyl]carbamoyl}pentyl]carbamate
B3E160.7
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
B1LPG0.73
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
A1LQE0.73
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole
A,B2R0G0.75
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
A,B2IOK0.7
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.71
4IN4-AMINO-L-TRYPTOPHANA1OXF0.71
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,B2V5X0.7
CP4BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-
AMINOETHYL]-ETHYLENE GLYCOL
A,B1EM60.71
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.71
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
RX3N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-
2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-
L-TRYPTOPHAN
A2OC20.71
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide
A,B2ZB20.76
MBC2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
A2I2I0.7
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan
A3BKL0.72
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.71
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
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.77
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5Q0.7
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1EXV0.7
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5S0.7
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L7X0.7
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5R0.7
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.71
8249-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE
A1X8B0.71
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.71
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.71
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.71
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
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE
A,B1LX60.73
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.74
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.73
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.72
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
A2BRL0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.72
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE
A1KCI0.72
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.75
FXN5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-
(2-MERCAPTO-ETHYL)-AMIDE
A,B1SHL0.71
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER
A,B1M490.71
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.71
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.71
V25ethyl 3-[(E)-2-amino-1-cyanoethenyl]-
6,7-dichloro-1-methyl-1H-indole-
2-carboxylate
A2VAG0.73
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.7
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
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.8
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.72
DSI4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-
8-METHYL-3,6,7,8-TETRAHYDRO-3,6-
DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
B1DSI0.75
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.74
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.82
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.74
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
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.76
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
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID
A1M4A0.7