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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02302908

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
34A3,4-DIMETHYLANILINEA1L4K0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.76
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.77
1MRN-METHYLANILINEX2OTZ0.72
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.73
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.71
DPKDEPRENYLA,B2BYB0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
264(phenylamino)acetonitrileA2RBN0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
271N-methyl-1-phenylmethanamineX2RBT0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.79
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.79
3NT3-NITROTOLUENEA,B2BMR0.81
3NT3-NITROTOLUENEA,B2HMO0.81
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.7
AAHH1KEL0.72
AAHB,H1FL60.72
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine
A,B3CZR0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71