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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00979341

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.7
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.75
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.76
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.77
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.7
CPUA,B1CR60.72
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.84
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.72
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
N9H(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-
N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-
PYRAZOLE-1-CARBOXAMIDE
A,B2G1Q0.71
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.76
271N-methyl-1-phenylmethanamineX2RBT0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.71
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.7