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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03030315

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S1S2-(4-((9S,10S,14S,Z)-18-(2-AMINO-
2-OXOETHYL)-9-(CARBOXYMETHYL)-14-
(NAPHTHALEN-1-YLMETHYL)-8,17,20-
TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-
11-EN-10-YL)PHENYL)MALONIC ACID
A,B,C,D2AOB0.71
S1S2-(4-((9S,10S,14S,Z)-18-(2-AMINO-
2-OXOETHYL)-9-(CARBOXYMETHYL)-14-
(NAPHTHALEN-1-YLMETHYL)-8,17,20-
TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-
11-EN-10-YL)PHENYL)MALONIC ACID
A,B2AOA0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.8
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.8
FLPFLURBIPROFENA,B,C,D3PGH0.72
FLPFLURBIPROFENA,B1CQE0.72
FLPFLURBIPROFENA,B1EQH0.72
FLPFLURBIPROFENA,B2AYL0.72
FLPFLURBIPROFENA1DVT0.72
FLPFLURBIPROFENA1R9O0.72
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.79
ALRALRESTATINA1AZ10.71
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.77
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.77
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.76
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.76
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.76
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.76
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.76
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.76
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.76
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.76
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.76
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.74
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.78
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.78
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.78
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.78
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.73
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.74
IBPIBUPROFENA3FKX0.72
IBPIBUPROFENA,B2BXG0.72
IBPIBUPROFENA,B1EQG0.72
IBPIBUPROFENA,B,C2WD90.72
IBPIBUPROFENA2PWS0.72
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A1TH60.75
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A2ARM0.75
OX1H,Y1LO20.71
SBX1-CYCLOHEXYL-3-PHENYL-1-PROPYL-
1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-
2-PIPERIDINE CARBOXYLATE
A1FKH0.7
APD3-METHYLPHENYLALANINEA,B,C1GMY0.7
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
H,L1D6V0.71
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
A,B,H,L1AXS0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.72
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.72
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.73
FRFPHE-REDUCED-PHEA,I1GVX0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.71
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.76
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.77
BFLA,B1Q4G0.73
BSI2-(BIPHENYL-4-SULFONYL)-1,2,3,4-
TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
A1BZS0.71
BSI2-(BIPHENYL-4-SULFONYL)-1,2,3,4-
TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
A1I760.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
DAI(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-
3A,4,9,9A-TETRAHYDRO-4,9[1',2']-
BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-
DIONE
A,B,C,D1YLS0.75
DAI(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-
3A,4,9,9A-TETRAHYDRO-4,9[1',2']-
BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-
DIONE
A,B,C,D1YKV0.75
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.75