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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03449493

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.8
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
CVICRYSTAL VIOLETA,B,D,E1JTX0.79
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.7
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.72
MGRMALACHITE GREENA,B3BQZ0.79
MGRMALACHITE GREENA1Q8N0.79
MGRMALACHITE GREENA,B3BR00.79
MGRMALACHITE GREENA,D,E3BTL0.79
MGRMALACHITE GREENA,B,D,E3BTC0.79
MGRMALACHITE GREENA,B,D,E1JUP0.79
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.71
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
PL01-phenylguanidineA2O8W0.71
34A3,4-DIMETHYLANILINEA1L4K0.7
A8BA1ODC0.7
PRY2-PROPYL-ANILINEA1OWY0.71
NYLN-ALLYL-ANILINEA1OVK0.73
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.76
LFNLUMIFLAVINA2CCC0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.71
PBZP-AMINO BENZAMIDINEA1RFN0.71
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.71
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.71
PBZP-AMINO BENZAMIDINEA1FIZ0.71
PBZP-AMINO BENZAMIDINEA1FIW0.71
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.83
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.79
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.72
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.72
264(phenylamino)acetonitrileA2RBN0.72
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.76
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.76
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.77
1MRN-METHYLANILINEX2OTZ0.71