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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02814292

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE
A2GYX0.73
3036-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE
A1OWK0.72
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.73
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.73
CVICRYSTAL VIOLETA,B,D,E1JTX0.79
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.85
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2IKO0.71
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2G240.71
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.75
BRNBERENILA,B268D0.81
BRNBERENILA,B1D630.81
BRNBERENILA,D,E2GBY0.81
BRNBERENILA2DBE0.81
BRNBERENILA2GVR0.81
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
A1OWH0.76
1MRN-METHYLANILINEX2OTZ0.72
4976-[AMINO(IMINO)METHYL]-N-[(4R)-
4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
6-YL]-2-NAPHTHAMIDE
A1OWD0.72
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.76
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.71
BSU1,3-DIPHENYLUREAA3E850.71
BSU1,3-DIPHENYLUREAA2ZJF0.71
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
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.71
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.71
NYLN-ALLYL-ANILINEA1OVK0.76
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.7
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE
A2CKM0.71
ARRN-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-
2-CARBOXIMIDAMIDE
A,B1VAF0.74
ARRN-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-
2-CARBOXIMIDAMIDE
A1VAG0.74
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.7
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.7
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.72
264(phenylamino)acetonitrileA2RBN0.75
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.82
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.82
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE
A,B3E650.71
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE
A2GJB0.71
IET1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-
PHENYL)-1-IMINO-ETHYL]-THIOUREA
A1S6P0.72
DEQDEQUALINIUMA,B,D,E1JT60.7
DEQDEQUALINIUMA,B,D,E3BR20.7
DEQDEQUALINIUMA1OYD0.7
DEQDEQUALINIUMA,B,D,E3BT90.7
DEQDEQUALINIUMA,B,D,E3BTJ0.7
DEQDEQUALINIUMA,B,D,E3BR10.7
SIIN-(4-{[4-(cyclohexylamino)-1-(3-
fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-
3-en-8-yl]methyl}phenyl)acetamide
A3FKT0.74
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.83
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE
A2CMF0.72
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.74
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.79
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.81
PBZP-AMINO BENZAMIDINEA1RFN0.81
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.81
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.81
PBZP-AMINO BENZAMIDINEA1FIZ0.81
PBZP-AMINO BENZAMIDINEA1FIW0.81
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.81
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.7
GASB,H1ETZ0.71
GASH2CGR0.71
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.7
PL01-phenylguanidineA2O8W0.72
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.78
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine
B2JWQ0.71
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE
A1T9Y0.71
A8BA1ODC0.76
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.74
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.7
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE
A1OWE0.71
IDMINDOLINEA,B3CEP0.77
IDMINDOLINEA1AEK0.77
FTA3-(4-PHENYLAMINO-PHENYLAMINO)-2-
(1H-TETRAZOL-5-YL)-ACRYLONITRILE
A1PZP0.75