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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02324384

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.72
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.78
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.73
IBPIBUPROFENA3FKX0.75
IBPIBUPROFENA,B2BXG0.75
IBPIBUPROFENA,B1EQG0.75
IBPIBUPROFENA,B,C2WD90.75
IBPIBUPROFENA2PWS0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.91
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.91
BZSL-BENZYLSUCCINIC ACIDA1CBX0.71
BZSL-BENZYLSUCCINIC ACIDA1HYT0.71
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.74
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.73
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.9
CLT4-PHENYL-BUTANOIC ACIDA1THL0.72
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.72
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.72
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.81
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.81
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.75
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.74
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.74
FLPFLURBIPROFENA,B,C,D3PGH0.75
FLPFLURBIPROFENA,B1CQE0.75
FLPFLURBIPROFENA,B1EQH0.75
FLPFLURBIPROFENA,B2AYL0.75
FLPFLURBIPROFENA1DVT0.75
FLPFLURBIPROFENA1R9O0.75
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.72
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.74
OX1H,Y1LO20.76
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.71
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.79
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
A1AZ80.71
BFLA,B1Q4G0.77
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.72
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.75
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.76
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.71
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.71
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.71
AN3ANTHRACENEA,B2HMN0.7
AN3ANTHRACENEA,B2HMM0.7
HCIHYDROCINNAMIC ACIDA,B1BXG0.71
HCIHYDROCINNAMIC ACIDA,B1TOG0.71
HCIHYDROCINNAMIC ACIDA,B1V2F0.71
HCIHYDROCINNAMIC ACIDA,B1AHX0.71
HCIHYDROCINNAMIC ACIDA1TOI0.71
HCIHYDROCINNAMIC ACIDA,B1AY80.71
HCIHYDROCINNAMIC ACIDA1TOJ0.71
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.71
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.71
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.71
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.8
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.71
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.74
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.74
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.78
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.71
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A,C,E,G1MZN0.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.72
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.72
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.72
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.75
PEYPHENANTHRENEA,B2HML0.7
PEYPHENANTHRENEA,B2HMK0.7