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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03128984

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.82
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.82
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.78
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.78
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.73
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.7
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.75
7912-PHENYLMALONIC ACIDA1O4P0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.78
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.72
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.77
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.77
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.75
IBPIBUPROFENA3FKX0.74
IBPIBUPROFENA,B2BXG0.74
IBPIBUPROFENA,B1EQG0.74
IBPIBUPROFENA,B,C2WD90.74
IBPIBUPROFENA2PWS0.74
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.77
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.75
1744-CHLORO-BENZOIC ACIDX3DLP0.74
1744-CHLORO-BENZOIC ACIDX1T5D0.74
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.76
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.76
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.73
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.73
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.73
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.73
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.79
FLPFLURBIPROFENA,B,C,D3PGH0.75
FLPFLURBIPROFENA,B1CQE0.75
FLPFLURBIPROFENA,B1EQH0.75
FLPFLURBIPROFENA,B2AYL0.75
FLPFLURBIPROFENA1DVT0.75
FLPFLURBIPROFENA1R9O0.75
3BZ3-chlorobenzoateX2QVZ0.73
3BZ3-chlorobenzoateX2QVX0.73
HCIHYDROCINNAMIC ACIDA,B1BXG0.77
HCIHYDROCINNAMIC ACIDA,B1TOG0.77
HCIHYDROCINNAMIC ACIDA,B1V2F0.77
HCIHYDROCINNAMIC ACIDA,B1AHX0.77
HCIHYDROCINNAMIC ACIDA1TOI0.77
HCIHYDROCINNAMIC ACIDA,B1AY80.77
HCIHYDROCINNAMIC ACIDA1TOJ0.77
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.72
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.75
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.78
34Z3,4-dichlorobenzoateX2QVY0.73
34Z3,4-dichlorobenzoateX2QW00.73
PAC2-PHENYLACETIC ACIDB1PNL0.75
PAC2-PHENYLACETIC ACIDB1K5Q0.75
PAC2-PHENYLACETIC ACIDB1FXH0.75
PAC2-PHENYLACETIC ACIDA2ISF0.75
PAC2-PHENYLACETIC ACIDA2INE0.75
973(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-
5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-
ONE
A2Q850.75
BFLA,B1Q4G0.77
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.78
BZSL-BENZYLSUCCINIC ACIDA1CBX0.74
BZSL-BENZYLSUCCINIC ACIDA1HYT0.74
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.74
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.71
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.72
CLT4-PHENYL-BUTANOIC ACIDA1THL0.76
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.76
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.76