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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01072217

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.75
BRNBERENILA,B268D0.79
BRNBERENILA,B1D630.79
BRNBERENILA,D,E2GBY0.79
BRNBERENILA2DBE0.79
BRNBERENILA2GVR0.79
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.76
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.73
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE
A,B3E650.7
URSN-PHENYLTHIOUREAA,B1BUG0.72
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.75
PBZP-AMINO BENZAMIDINEA,B2BDG0.78
PBZP-AMINO BENZAMIDINEA1RFN0.78
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.78
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.78
PBZP-AMINO BENZAMIDINEA1FIZ0.78
PBZP-AMINO BENZAMIDINEA1FIW0.78
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.78
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE
A1OWE0.73
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.72
BSU1,3-DIPHENYLUREAA3E850.83
BSU1,3-DIPHENYLUREAA2ZJF0.83
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
GASB,H1ETZ0.7
GASH2CGR0.7
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.89
RJ1N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamideA,B,C,D3DGA0.75
PL01-phenylguanidineA2O8W0.76
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE
A1T9Y0.7
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.7
F133-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamideA,B3G350.71
CVICRYSTAL VIOLETA,B,D,E1JTX0.72
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
A1OWH0.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.75
L10N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-
DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-
(4-CHLOROPHENYL)UREA
A1W820.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.7
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.77
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.76
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.76
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.76
MGRMALACHITE GREENA,B3BQZ0.72
MGRMALACHITE GREENA1Q8N0.72
MGRMALACHITE GREENA,B3BR00.72
MGRMALACHITE GREENA,D,E3BTL0.72
MGRMALACHITE GREENA,B,D,E3BTC0.72
MGRMALACHITE GREENA,B,D,E1JUP0.72
IET1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-
PHENYL)-1-IMINO-ETHYL]-THIOUREA
A1S6P0.74
SIIN-(4-{[4-(cyclohexylamino)-1-(3-
fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-
3-en-8-yl]methyl}phenyl)acetamide
A3FKT0.72
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.72
GP81-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREAA1BJV0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.71
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.87