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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012549

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.73
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
PRY2-PROPYL-ANILINEA1OWY0.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.77
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
34A3,4-DIMETHYLANILINEA1L4K0.77
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.8
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
3NT3-NITROTOLUENEA,B2BMR0.86
3NT3-NITROTOLUENEA,B2HMO0.86
NINDINITROPHENYLENEA1RSM0.74
NINDINITROPHENYLENEA1GVY0.74
NINDINITROPHENYLENEA1GW10.74
NID4-NITRO-INDEN-1-ONEA,B1DOH0.74
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.81
PNZP-NITRO-BENZYLAMINEA,B2C700.81
ANCANTHRACEN-1-YLAMINEA,B1GT10.79
ANCANTHRACEN-1-YLAMINEA,B1HN20.79
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
NBENITROSOBENZENEA1LH70.73
NBENITROSOBENZENEA2LH70.73
NBENITROSOBENZENEA2NSS0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.73
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
NBZNITROBENZENEA,B2BMQ0.78
NBZNITROBENZENEA,B3BGU0.78
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
9AP9-AMINOPHENANTHRENEA1EGY0.8
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.8