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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178281

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
9AP9-AMINOPHENANTHRENEA1EGY0.72
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.77
34A3,4-DIMETHYLANILINEA1L4K0.72
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.71
PRY2-PROPYL-ANILINEA1OWY0.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.7
TNSA,B,L2G2R0.7
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.91
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.83
PNZP-NITRO-BENZYLAMINEA,B2C700.83
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
NIT4-NITROANILINEC,D1RMH0.74
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.74
NIT4-NITROANILINEB1VBS0.74
NIT4-NITROANILINEC1V9T0.74
NIT4-NITROANILINEC,D1VBT0.74
NIT4-NITROANILINEB1LOP0.74
NIT4-NITROANILINEC,D1ZKF0.74
NIT4-NITROANILINEB1PIP0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.8
NINDINITROPHENYLENEA1RSM0.82
NINDINITROPHENYLENEA1GVY0.82
NINDINITROPHENYLENEA1GW10.82