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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02258300

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.78
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.71
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.75
PL01-phenylguanidineA2O8W0.82
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.74
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.71
BAMBENZAMIDINEU1F5K0.71
BAMBENZAMIDINEX2BY80.71
BAMBENZAMIDINEB2PSM0.71
BAMBENZAMIDINEX2BY90.71
BAMBENZAMIDINEA1C1N0.71
BAMBENZAMIDINEX2BY60.71
BAMBENZAMIDINEH,I1C5O0.71
BAMBENZAMIDINEA1XX40.71
BAMBENZAMIDINEA1HJ80.71
BAMBENZAMIDINEA1C5P0.71
BAMBENZAMIDINEB1C5Z0.71
BAMBENZAMIDINEA,B1ZVW0.71
BAMBENZAMIDINEA2ANW0.71
BAMBENZAMIDINEA2ANY0.71
BAMBENZAMIDINEX2BYA0.71
BAMBENZAMIDINEA1TIO0.71
BAMBENZAMIDINEX2BY50.71
BAMBENZAMIDINEX2BY70.71
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.74
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.74
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.74
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.77
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
CVICRYSTAL VIOLETA,B,D,E1JTX0.76
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.75
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.75
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.77
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.86
264(phenylamino)acetonitrileA2RBN0.76
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.75
ISOPARA-ISOPROPYLANILINEA1BMA0.78
ISOPARA-ISOPROPYLANILINEA,B1ELC0.78
ISOPARA-ISOPROPYLANILINEA,B1ELB0.78
ISOPARA-ISOPROPYLANILINEA,B1ELA0.78
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.74
URSN-PHENYLTHIOUREAA,B1BUG0.74
PBZP-AMINO BENZAMIDINEA,B2BDG0.84
PBZP-AMINO BENZAMIDINEA1RFN0.84
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.84
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.84
PBZP-AMINO BENZAMIDINEA1FIZ0.84
PBZP-AMINO BENZAMIDINEA1FIW0.84
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.84
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.77
XYD2,5-DIMETHYLANILINEA1L4L0.77
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
34A3,4-DIMETHYLANILINEA1L4K0.78
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.72
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
BENBENZAMIDINEA2TIO0.71
BENBENZAMIDINEA1J150.71
BENBENZAMIDINEA,B3BEU0.71
BENBENZAMIDINET1V2U0.71
BENBENZAMIDINEA,B,C,D,E,F3CF80.71
BENBENZAMIDINEA1S0R0.71
BENBENZAMIDINEA,B1V160.71
BENBENZAMIDINEA1CC70.71
BENBENZAMIDINEA3BG80.71
BENBENZAMIDINEA1CC80.71
BENBENZAMIDINEA3PTB0.71
BENBENZAMIDINEA,B1TRM0.71
BENBENZAMIDINEA1ZHR0.71
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.71
BENBENZAMIDINEA2BLV0.71
BENBENZAMIDINEA,B,C,D,E,F2GLP0.71
BENBENZAMIDINEH,I3D490.71
BENBENZAMIDINEH,L,T2AER0.71
BENBENZAMIDINEA1J140.71
BENBENZAMIDINEA1NSA0.71
BENBENZAMIDINEA2AYW0.71
BENBENZAMIDINEA1BRA0.71
BENBENZAMIDINEA,B,C,D1A0J0.71
BENBENZAMIDINEB,C,D2AST0.71
BENBENZAMIDINEA,B2CKR0.71
BENBENZAMIDINEA1LPU0.71
BENBENZAMIDINEA1ZHM0.71
BENBENZAMIDINEA1J8A0.71
BENBENZAMIDINEA,B3BCX0.71
BENBENZAMIDINEA,B,C,D,E,F3CF90.71
BENBENZAMIDINEA,B,C,D,E,F3D040.71
BENBENZAMIDINEA,B,C,D,E,F2GLL0.71
BENBENZAMIDINEA1AND0.71
BENBENZAMIDINEA2TBS0.71
BENBENZAMIDINEA,B,C,D,E,F3DP20.71
BENBENZAMIDINET1V2M0.71
BENBENZAMIDINEA2EEK0.71
BENBENZAMIDINEH,I2ZI20.71
BENBENZAMIDINET1V2J0.71
BENBENZAMIDINEH1KLI0.71
BENBENZAMIDINEA1CE50.71
BENBENZAMIDINEA,B,C,D,E,F3B7J0.71
BENBENZAMIDINEB,Y2PKA0.71
BENBENZAMIDINEA2VJ00.71
BENBENZAMIDINEA3B3J0.71
BENBENZAMIDINEA,B,C,D,E,F3DOY0.71
BENBENZAMIDINEA,B,C,D,E,F3DP30.71
BENBENZAMIDINEA,B,C,D,E,F2GLM0.71
BENBENZAMIDINEA1ANB0.71
BENBENZAMIDINEA1LO60.71
BENBENZAMIDINEA1LR40.71
BENBENZAMIDINEA,B1V1M0.71
BENBENZAMIDINEA1ZHP0.71
BENBENZAMIDINEA2J9N0.71
BENBENZAMIDINEA2BMV0.71
BENBENZAMIDINEA,B2CKS0.71
BENBENZAMIDINEA2BLW0.71
BENBENZAMIDINEA1J160.71
BENBENZAMIDINEA,B1V110.71
BENBENZAMIDINEA,B,C,D,E,F3DP00.71
BENBENZAMIDINEB1RTF0.71
BENBENZAMIDINEA,B,C,D,E,F3DP10.71
BENBENZAMIDINEA,B,C,D2E580.71
BENBENZAMIDINEA2TRM0.71
BENBENZAMIDINET1V2V0.71
BENBENZAMIDINEA1MBQ0.71
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.71
BENBENZAMIDINEA2O8U0.71
BENBENZAMIDINEH1DWB0.71
BENBENZAMIDINEB,C2ASS0.71
BENBENZAMIDINEA1ANE0.71
BENBENZAMIDINEH,I2ZIQ0.71
BENBENZAMIDINEA1BIT0.71
BENBENZAMIDINEA2AIQ0.71
BENBENZAMIDINEA2OQ50.71
BENBENZAMIDINEA1ANC0.71
BENBENZAMIDINEH1JBU0.71
BENBENZAMIDINEA,B2BPQ0.71
BENBENZAMIDINEA,B,C,D2GNN0.71
BENBENZAMIDINET1V2S0.71
BENBENZAMIDINEA1H4W0.71
BENBENZAMIDINEA1OSS0.71
BENBENZAMIDINEA1W800.71
BENBENZAMIDINEA1BTY0.71
BENBENZAMIDINEH,I2ZFQ0.71
BENBENZAMIDINEA1EAX0.71
BENBENZAMIDINEA1L2E0.71
BENBENZAMIDINEA1WRI0.71
BENBENZAMIDINEA,B3BB80.71
BENBENZAMIDINEA2OXS0.71
BENBENZAMIDINEA1DPO0.71
BENBENZAMIDINET1V2L0.71
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.75
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.73
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.74
IET1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-
PHENYL)-1-IMINO-ETHYL]-THIOUREA
A1S6P0.72
BRNBERENILA,B268D0.77
BRNBERENILA,B1D630.77
BRNBERENILA,D,E2GBY0.77
BRNBERENILA2DBE0.77
BRNBERENILA2GVR0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.8
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.71
RJ1N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamideA,B,C,D3DGA0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.76
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.75
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE
A2GYX0.71
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.71
NYLN-ALLYL-ANILINEA1OVK0.77
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.72
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.72
1MRN-METHYLANILINEX2OTZ0.76
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74
IDMINDOLINEA,B3CEP0.77
IDMINDOLINEA1AEK0.77