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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02311061

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
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.7
BZZBENZYLHYDRAZINEA,B2E2V0.75
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.74
PBZP-AMINO BENZAMIDINEA,B2BDG0.72
PBZP-AMINO BENZAMIDINEA1RFN0.72
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.72
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.72
PBZP-AMINO BENZAMIDINEA1FIZ0.72
PBZP-AMINO BENZAMIDINEA1FIW0.72
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.72
PHZ1-PHENYLHYDRAZINEA2E2T0.77
PHZ1-PHENYLHYDRAZINED,H2AGL0.77
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.7
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.71
IDMINDOLINEA,B3CEP0.81
IDMINDOLINEA1AEK0.81
PL01-phenylguanidineA2O8W0.71
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.79
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.74
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.74
NYLN-ALLYL-ANILINEA1OVK0.79
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.82
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.8
XYD2,5-DIMETHYLANILINEA1L4L0.8
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.72
PRY2-PROPYL-ANILINEA1OWY0.81
271N-methyl-1-phenylmethanamineX2RBT0.75
URSN-PHENYLTHIOUREAA,B1BUG0.71
MGRMALACHITE GREENA,B3BQZ0.75
MGRMALACHITE GREENA1Q8N0.75
MGRMALACHITE GREENA,B3BR00.75
MGRMALACHITE GREENA,D,E3BTL0.75
MGRMALACHITE GREENA,B,D,E3BTC0.75
MGRMALACHITE GREENA,B,D,E1JUP0.75
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.71
264(phenylamino)acetonitrileA2RBN0.78
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.79
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.79
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
BRNBERENILA,B268D0.74
BRNBERENILA,B1D630.74
BRNBERENILA,D,E2GBY0.74
BRNBERENILA2DBE0.74
BRNBERENILA2GVR0.74
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.7
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.76
ISOPARA-ISOPROPYLANILINEA,B1ELC0.76
ISOPARA-ISOPROPYLANILINEA,B1ELB0.76
ISOPARA-ISOPROPYLANILINEA,B1ELA0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
1MRN-METHYLANILINEX2OTZ0.81
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
34A3,4-DIMETHYLANILINEA1L4K0.76
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.7
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.77
A8BA1ODC0.71
CVICRYSTAL VIOLETA,B,D,E1JTX0.75