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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00045158

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide		A,B2ZB20.7
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.78
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.72
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2I0T0.73
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		A,B,C,D,K,L,
M,N		2J570.73
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2OK40.73
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2IUR0.73
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2AGW0.73
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		A,B,H,L,M2J560.73
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2IUV0.73
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2OK60.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.75
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.75
BLVBILIVERDIN IX GAMMA CHROMOPHOREA1Z240.7
BLVBILIVERDIN IX GAMMA CHROMOPHOREA,B,C,D1BBP0.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.72
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.73
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.76
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.76
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.76
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.76
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.72
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.73
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.73
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.73
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.7
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.7
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.7
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.85
NTMQUINOLINIC ACIDA3C2O0.76
NTMQUINOLINIC ACIDA,B1QAP0.76
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.76
NTMQUINOLINIC ACIDA,B,C2B7N0.76
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.75
DPYA,B1JES0.71
BLABILIVERDINE IX ALPHAA1HE20.72
BLABILIVERDINE IX ALPHAA1ZTU0.72
BLABILIVERDINE IX ALPHAA2D1E0.72
BLABILIVERDINE IX ALPHAA,B2C7J0.72
BLABILIVERDINE IX ALPHAA,B,K,L1EYX0.72
BLABILIVERDINE IX ALPHAA1BVC0.72
BLABILIVERDINE IX ALPHAA,B1KTP0.72
BLABILIVERDINE IX ALPHAA,B2C7K0.72
BLABILIVERDINE IX ALPHAA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X		2UUL0.72
BLABILIVERDINE IX ALPHAA1S8C0.72
BLABILIVERDINE IX ALPHAA,B,C,D,E,F,
G,H		3C2W0.72
BLABILIVERDINE IX ALPHAA,B2C7L0.72
BLABILIVERDINE IX ALPHAA,B,C,D2VGR0.72
BLABILIVERDINE IX ALPHAA1J2C0.72
BLABILIVERDINE IX ALPHAA,B3BRP0.72
BLABILIVERDINE IX ALPHAA1BVD0.72
BLABILIVERDINE IX ALPHAA,B,K,L,M,N1F990.72
BLABILIVERDINE IX ALPHAA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X		2UUM0.72
BLABILIVERDINE IX ALPHAA,B2VUE0.72
BLABILIVERDINE IX ALPHAA,B,C,D,E,F,
H,I,J,K,L,M		1B330.72
BLABILIVERDINE IX ALPHAA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X		2UUN0.72
BLABILIVERDINE IX ALPHAA,B,C,D2VCK0.72
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.71
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
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.72
CYCPHYCOCYANOBILINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X		1GH00.72
CYCPHYCOCYANOBILINA,B2VJR0.72
CYCPHYCOCYANOBILINA,B,K,L,M,N1F990.72
CYCPHYCOCYANOBILINA,B,C,D,E,F,
H,I,J,K,L,M		1B330.72
CYCPHYCOCYANOBILINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X		2UUM0.72
CYCPHYCOCYANOBILINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X		2UUN0.72
CYCPHYCOCYANOBILINA,B2C7L0.72
CYCPHYCOCYANOBILINA,B,K,L1CPC0.72
CYCPHYCOCYANOBILINA,B1JBO0.72
CYCPHYCOCYANOBILINA,B1I7Y0.72
CYCPHYCOCYANOBILINA,B1ON70.72
CYCPHYCOCYANOBILINA,B,K,L1EYX0.72
CYCPHYCOCYANOBILINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X		1HA70.72
CYCPHYCOCYANOBILINA,B1ALL0.72
CYCPHYCOCYANOBILINA,B1KTP0.72
CYCPHYCOCYANOBILINA,B2C7K0.72
CYCPHYCOCYANOBILINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X		2UUL0.72
CYCPHYCOCYANOBILINA2VEA0.72
CYCPHYCOCYANOBILINA,B,C,D,E,F,
G,H,I,J,K,L		2VML0.72
CYCPHYCOCYANOBILINA2K2N0.72
CYCPHYCOCYANOBILINA,B2VJT0.72
CYCPHYCOCYANOBILINA,B1PHN0.72
CYCPHYCOCYANOBILINA,B,C,D,E,F,
G,H		3DBJ0.72
CYCPHYCOCYANOBILINA,B2G9M0.72
CYCPHYCOCYANOBILINA,B1KN10.72
CYCPHYCOCYANOBILINA,B,K,L1LIA0.72
CYCPHYCOCYANOBILINA,B,C,D,E,F,
K,L,M,N,O,P		2BV80.72
CYCPHYCOCYANOBILINA,B2C7J0.72
CYCPHYCOCYANOBILINA,B2V8A0.72
TRO2-HYDROXY-TRYPTOPHANA1KB00.72
TRO2-HYDROXY-TRYPTOPHANA1G3P0.72
PYCPYRROLE-2-CARBOXYLATEA1W620.81
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.81
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.81
PYCPYRROLE-2-CARBOXYLATEA,B1W610.81
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.81
QNDQUINALDIC ACIDA,B1IDA0.77
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
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.78
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.78
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.78
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.78
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.78
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.78
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.74
LBVA2O9B0.72
LBVA,B2OOL0.72
LBVA2O9C0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,D,F,G,H,
J,K,L,N,O,P		2GC40.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,H,L,M2J550.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2Q7Q0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,G1JMZ0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E,G,I2H470.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MG20.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,D,F,H,J,L,
N,P		2GC70.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2OJY0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2IUP0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGX0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2HJ40.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2HKR0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGZ0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E,F2H3X0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,D,H2IUQ0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,G1JMX0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2HJB0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,C,H,L2MTA0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2OIZ0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,L,M3C750.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AH00.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,C1JJU0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,L,M1MDA0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2HKM0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGY0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		L,M2BBK0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		L2MAD0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGL0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E2IAA0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AH10.72
MBVMESOBILIVERDIN IV ALPHAA1HE30.72
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.76
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A,B1E510.72
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A1OHL0.72