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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02993906

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
9AP9-AMINOPHENANTHRENEA1EGY0.72
3AB3-aminobenzamideA,B,C,D3GOY0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.78
PHZ1-PHENYLHYDRAZINEA2E2T0.7
PHZ1-PHENYLHYDRAZINED,H2AGL0.7
ANCANTHRACEN-1-YLAMINEA,B1GT10.73
ANCANTHRACEN-1-YLAMINEA,B1HN20.73
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.78
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.86
XYD2,5-DIMETHYLANILINEA1L4L0.86
PBZP-AMINO BENZAMIDINEA,B2BDG0.75
PBZP-AMINO BENZAMIDINEA1RFN0.75
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.75
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.75
PBZP-AMINO BENZAMIDINEA1FIZ0.75
PBZP-AMINO BENZAMIDINEA1FIW0.75
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.75
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.82
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
1AN2-FLUOROANILINEA1LGW0.73
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.7
NBENITROSOBENZENEA1LH70.7
NBENITROSOBENZENEA2LH70.7
NBENITROSOBENZENEA2NSS0.7
34A3,4-DIMETHYLANILINEA1L4K0.82
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.84
PRY2-PROPYL-ANILINEA1OWY0.87
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
ISOPARA-ISOPROPYLANILINEA1BMA0.82
ISOPARA-ISOPROPYLANILINEA,B1ELC0.82
ISOPARA-ISOPROPYLANILINEA,B1ELB0.82
ISOPARA-ISOPROPYLANILINEA,B1ELA0.82
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.76
SOAISATOIC ANHYDRIDEA1BIO0.77
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.7
5AN3,5-DIFLUOROANILINEA1LGX0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.78
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.7
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
2AC2-AMINO-P-CRESOLH,I1A2C0.72
2AC2-AMINO-P-CRESOLA1L4M0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.79
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.79