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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178448

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNSA,B,L2G2R0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
NIT4-NITROANILINEC,D1RMH0.71
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.71
NIT4-NITROANILINEB1VBS0.71
NIT4-NITROANILINEC1V9T0.71
NIT4-NITROANILINEC,D1VBT0.71
NIT4-NITROANILINEB1LOP0.71
NIT4-NITROANILINEC,D1ZKF0.71
NIT4-NITROANILINEB1PIP0.71
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.73
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.78
3NT3-NITROTOLUENEA,B2BMR0.77
3NT3-NITROTOLUENEA,B2HMO0.77
AAHH1KEL0.71
AAHB,H1FL60.71
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.77
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.7
PRY2-PROPYL-ANILINEA1OWY0.71
HFTHYDROXYFLUTAMIDEA2AX60.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.77
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.83
PNZP-NITRO-BENZYLAMINEA,B2C700.83
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.73
PPNPARA-NITROPHENYLALANINEI1YTJ0.74