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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03007366

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.84
3NT3-NITROTOLUENEA,B2HMO0.84
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.74
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.71
NIT4-NITROANILINEC,D1RMH0.76
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.76
NIT4-NITROANILINEB1VBS0.76
NIT4-NITROANILINEC1V9T0.76
NIT4-NITROANILINEC,D1VBT0.76
NIT4-NITROANILINEB1LOP0.76
NIT4-NITROANILINEC,D1ZKF0.76
NIT4-NITROANILINEB1PIP0.76
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.71
34A3,4-DIMETHYLANILINEA1L4K0.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.72
ISOPARA-ISOPROPYLANILINEA,B1ELC0.72
ISOPARA-ISOPROPYLANILINEA,B1ELB0.72
ISOPARA-ISOPROPYLANILINEA,B1ELA0.72
NINDINITROPHENYLENEA1RSM0.84
NINDINITROPHENYLENEA1GVY0.84
NINDINITROPHENYLENEA1GW10.84
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.85
PNZP-NITRO-BENZYLAMINEA,B2C700.85
PRY2-PROPYL-ANILINEA1OWY0.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.78
TNL2,4,6-TRINITROTOLUENEA1GVR0.91
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
TNSA,B,L2G2R0.72
NBENITROSOBENZENEA1LH70.73
NBENITROSOBENZENEA2LH70.73
NBENITROSOBENZENEA2NSS0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.82
NBZNITROBENZENEA,B2BMQ0.78
NBZNITROBENZENEA,B3BGU0.78