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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023821

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.83
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.89
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.89
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.89
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.89
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.7
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
ANLANILINEA2OV40.75
ANLANILINEA1AEE0.75
ANLANILINEA1PPA0.75
ANLANILINEA1HJ90.75
ANCANTHRACEN-1-YLAMINEA,B1GT10.74
ANCANTHRACEN-1-YLAMINEA,B1HN20.74
9AP9-AMINOPHENANTHRENEA1EGY0.75
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.77
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.78
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.79
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.82
ISOPARA-ISOPROPYLANILINEA,B1ELC0.82
ISOPARA-ISOPROPYLANILINEA,B1ELB0.82
ISOPARA-ISOPROPYLANILINEA,B1ELA0.82
PBZP-AMINO BENZAMIDINEA,B2BDG0.76
PBZP-AMINO BENZAMIDINEA1RFN0.76
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.76
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.76
PBZP-AMINO BENZAMIDINEA1FIZ0.76
PBZP-AMINO BENZAMIDINEA1FIW0.76
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.76
1AN2-FLUOROANILINEA1LGW0.76
BRNBERENILA,B268D0.7
BRNBERENILA,B1D630.7
BRNBERENILA,D,E2GBY0.7
BRNBERENILA2DBE0.7
BRNBERENILA2GVR0.7
34A3,4-DIMETHYLANILINEA1L4K0.8
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.81
XYD2,5-DIMETHYLANILINEA1L4L0.81
5AN3,5-DIFLUOROANILINEA1LGX0.76
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.73
PRY2-PROPYL-ANILINEA1OWY0.82