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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02637355

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.77
HFTHYDROXYFLUTAMIDEA2AX60.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.7
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.7
34A3,4-DIMETHYLANILINEA1L4K0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.72
ISOPARA-ISOPROPYLANILINEA,B1ELC0.72
ISOPARA-ISOPROPYLANILINEA,B1ELB0.72
ISOPARA-ISOPROPYLANILINEA,B1ELA0.72
271N-methyl-1-phenylmethanamineX2RBT0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
264(phenylamino)acetonitrileA2RBN0.73
3NT3-NITROTOLUENEA,B2BMR0.8
3NT3-NITROTOLUENEA,B2HMO0.8
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.75
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
AAHH1KEL0.72
AAHB,H1FL60.72
1MRN-METHYLANILINEX2OTZ0.71