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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02258495

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ARRN-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-
2-CARBOXIMIDAMIDE
A,B1VAF0.7
ARRN-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-
2-CARBOXIMIDAMIDE
A1VAG0.7
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
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
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.72
1MRN-METHYLANILINEX2OTZ0.73
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.73
CVICRYSTAL VIOLETA,B,D,E1JTX0.76
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.76
A8BA1ODC0.72
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.72
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.73
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.7
MGRMALACHITE GREENA,B3BQZ0.76
MGRMALACHITE GREENA1Q8N0.76
MGRMALACHITE GREENA,B3BR00.76
MGRMALACHITE GREENA,D,E3BTL0.76
MGRMALACHITE GREENA,B,D,E3BTC0.76
MGRMALACHITE GREENA,B,D,E1JUP0.76
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.78
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.75
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
NYLN-ALLYL-ANILINEA1OVK0.75
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.9
264(phenylamino)acetonitrileA2RBN0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.76
PL01-phenylguanidineA2O8W0.72
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.7
SIIN-(4-{[4-(cyclohexylamino)-1-(3-
fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-
3-en-8-yl]methyl}phenyl)acetamide
A3FKT0.7
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.72
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
BRNBERENILA,B268D0.73
BRNBERENILA,B1D630.73
BRNBERENILA,D,E2GBY0.73
BRNBERENILA2DBE0.73
BRNBERENILA2GVR0.73