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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008032

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
NINDINITROPHENYLENEA1RSM0.78
NINDINITROPHENYLENEA1GVY0.78
NINDINITROPHENYLENEA1GW10.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
NBZNITROBENZENEA,B2BMQ0.83
NBZNITROBENZENEA,B3BGU0.83
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
3NT3-NITROTOLUENEA,B2BMR0.89
3NT3-NITROTOLUENEA,B2HMO0.89
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
34A3,4-DIMETHYLANILINEA1L4K0.7
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.75
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.7
PRY2-PROPYL-ANILINEA1OWY0.74
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
NIT4-NITROANILINEC,D1RMH0.78
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.78
NIT4-NITROANILINEB1VBS0.78
NIT4-NITROANILINEC1V9T0.78
NIT4-NITROANILINEC,D1VBT0.78
NIT4-NITROANILINEB1LOP0.78
NIT4-NITROANILINEC,D1ZKF0.78
NIT4-NITROANILINEB1PIP0.78
NBENITROSOBENZENEA1LH70.77
NBENITROSOBENZENEA2LH70.77
NBENITROSOBENZENEA2NSS0.77
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.83
PNZP-NITRO-BENZYLAMINEA,B2C700.83
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.82
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.81
TNL2,4,6-TRINITROTOLUENEA1GVR0.84