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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01724741

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.75
7912-PHENYLMALONIC ACIDA1O4P0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.8
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.8
TRZTRAZEOLIDEA1C120.76
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.76
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.76
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.7
HCIHYDROCINNAMIC ACIDA,B1BXG0.7
HCIHYDROCINNAMIC ACIDA,B1TOG0.7
HCIHYDROCINNAMIC ACIDA,B1V2F0.7
HCIHYDROCINNAMIC ACIDA,B1AHX0.7
HCIHYDROCINNAMIC ACIDA1TOI0.7
HCIHYDROCINNAMIC ACIDA,B1AY80.7
HCIHYDROCINNAMIC ACIDA1TOJ0.7
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.73
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.73
34Z3,4-dichlorobenzoateX2QVY0.71
34Z3,4-dichlorobenzoateX2QW00.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.7
1744-CHLORO-BENZOIC ACIDX3DLP0.73
1744-CHLORO-BENZOIC ACIDX1T5D0.73
FLPFLURBIPROFENA,B,C,D3PGH0.75
FLPFLURBIPROFENA,B1CQE0.75
FLPFLURBIPROFENA,B1EQH0.75
FLPFLURBIPROFENA,B2AYL0.75
FLPFLURBIPROFENA1DVT0.75
FLPFLURBIPROFENA1R9O0.75
IBPIBUPROFENA3FKX0.77
IBPIBUPROFENA,B2BXG0.77
IBPIBUPROFENA,B1EQG0.77
IBPIBUPROFENA,B,C2WD90.77
IBPIBUPROFENA2PWS0.77
3BZ3-chlorobenzoateX2QVZ0.73
3BZ3-chlorobenzoateX2QVX0.73
973(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-
5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-
ONE
A2Q850.73
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.71
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.71
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.7
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.7
PAC2-PHENYLACETIC ACIDB1PNL0.73
PAC2-PHENYLACETIC ACIDB1K5Q0.73
PAC2-PHENYLACETIC ACIDB1FXH0.73
PAC2-PHENYLACETIC ACIDA2ISF0.73
PAC2-PHENYLACETIC ACIDA2INE0.73
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
BFLA,B1Q4G0.77
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.78
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.72
DFADIPHENYLACETIC ACIDA,B,C1GMY0.77
BZSL-BENZYLSUCCINIC ACIDA1CBX0.7
BZSL-BENZYLSUCCINIC ACIDA1HYT0.7
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.7
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.73
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71