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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02816396

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
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.75
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.74
CVICRYSTAL VIOLETA,B,D,E1JTX0.81
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.72
1MRN-METHYLANILINEX2OTZ0.73
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.74
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.76
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.72
PRY2-PROPYL-ANILINEA1OWY0.73
BENBENZAMIDINEA2TIO0.73
BENBENZAMIDINEA1J150.73
BENBENZAMIDINEA,B3BEU0.73
BENBENZAMIDINET1V2U0.73
BENBENZAMIDINEA,B,C,D,E,F3CF80.73
BENBENZAMIDINEA1S0R0.73
BENBENZAMIDINEA,B1V160.73
BENBENZAMIDINEA1CC70.73
BENBENZAMIDINEA3BG80.73
BENBENZAMIDINEA1CC80.73
BENBENZAMIDINEA3PTB0.73
BENBENZAMIDINEA,B1TRM0.73
BENBENZAMIDINEA1ZHR0.73
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.73
BENBENZAMIDINEA2BLV0.73
BENBENZAMIDINEA,B,C,D,E,F2GLP0.73
BENBENZAMIDINEH,I3D490.73
BENBENZAMIDINEH,L,T2AER0.73
BENBENZAMIDINEA1J140.73
BENBENZAMIDINEA1NSA0.73
BENBENZAMIDINEA2AYW0.73
BENBENZAMIDINEA1BRA0.73
BENBENZAMIDINEA,B,C,D1A0J0.73
BENBENZAMIDINEB,C,D2AST0.73
BENBENZAMIDINEA,B2CKR0.73
BENBENZAMIDINEA1LPU0.73
BENBENZAMIDINEA1ZHM0.73
BENBENZAMIDINEA1J8A0.73
BENBENZAMIDINEA,B3BCX0.73
BENBENZAMIDINEA,B,C,D,E,F3CF90.73
BENBENZAMIDINEA,B,C,D,E,F3D040.73
BENBENZAMIDINEA,B,C,D,E,F2GLL0.73
BENBENZAMIDINEA1AND0.73
BENBENZAMIDINEA2TBS0.73
BENBENZAMIDINEA,B,C,D,E,F3DP20.73
BENBENZAMIDINET1V2M0.73
BENBENZAMIDINEA2EEK0.73
BENBENZAMIDINEH,I2ZI20.73
BENBENZAMIDINET1V2J0.73
BENBENZAMIDINEH1KLI0.73
BENBENZAMIDINEA1CE50.73
BENBENZAMIDINEA,B,C,D,E,F3B7J0.73
BENBENZAMIDINEB,Y2PKA0.73
BENBENZAMIDINEA2VJ00.73
BENBENZAMIDINEA3B3J0.73
BENBENZAMIDINEA,B,C,D,E,F3DOY0.73
BENBENZAMIDINEA,B,C,D,E,F3DP30.73
BENBENZAMIDINEA,B,C,D,E,F2GLM0.73
BENBENZAMIDINEA1ANB0.73
BENBENZAMIDINEA1LO60.73
BENBENZAMIDINEA1LR40.73
BENBENZAMIDINEA,B1V1M0.73
BENBENZAMIDINEA1ZHP0.73
BENBENZAMIDINEA2J9N0.73
BENBENZAMIDINEA2BMV0.73
BENBENZAMIDINEA,B2CKS0.73
BENBENZAMIDINEA2BLW0.73
BENBENZAMIDINEA1J160.73
BENBENZAMIDINEA,B1V110.73
BENBENZAMIDINEA,B,C,D,E,F3DP00.73
BENBENZAMIDINEB1RTF0.73
BENBENZAMIDINEA,B,C,D,E,F3DP10.73
BENBENZAMIDINEA,B,C,D2E580.73
BENBENZAMIDINEA2TRM0.73
BENBENZAMIDINET1V2V0.73
BENBENZAMIDINEA1MBQ0.73
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.73
BENBENZAMIDINEA2O8U0.73
BENBENZAMIDINEH1DWB0.73
BENBENZAMIDINEB,C2ASS0.73
BENBENZAMIDINEA1ANE0.73
BENBENZAMIDINEH,I2ZIQ0.73
BENBENZAMIDINEA1BIT0.73
BENBENZAMIDINEA2AIQ0.73
BENBENZAMIDINEA2OQ50.73
BENBENZAMIDINEA1ANC0.73
BENBENZAMIDINEH1JBU0.73
BENBENZAMIDINEA,B2BPQ0.73
BENBENZAMIDINEA,B,C,D2GNN0.73
BENBENZAMIDINET1V2S0.73
BENBENZAMIDINEA1H4W0.73
BENBENZAMIDINEA1OSS0.73
BENBENZAMIDINEA1W800.73
BENBENZAMIDINEA1BTY0.73
BENBENZAMIDINEH,I2ZFQ0.73
BENBENZAMIDINEA1EAX0.73
BENBENZAMIDINEA1L2E0.73
BENBENZAMIDINEA1WRI0.73
BENBENZAMIDINEA,B3BB80.73
BENBENZAMIDINEA2OXS0.73
BENBENZAMIDINEA1DPO0.73
BENBENZAMIDINET1V2L0.73
BSU1,3-DIPHENYLUREAA3E850.71
BSU1,3-DIPHENYLUREAA2ZJF0.71
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.71
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.71
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.73
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
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
34A3,4-DIMETHYLANILINEA1L4K0.7
MGRMALACHITE GREENA,B3BQZ0.81
MGRMALACHITE GREENA1Q8N0.81
MGRMALACHITE GREENA,B3BR00.81
MGRMALACHITE GREENA,D,E3BTL0.81
MGRMALACHITE GREENA,B,D,E3BTC0.81
MGRMALACHITE GREENA,B,D,E1JUP0.81
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.78
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.78
BRNBERENILA,B268D0.8
BRNBERENILA,B1D630.8
BRNBERENILA,D,E2GBY0.8
BRNBERENILA2DBE0.8
BRNBERENILA2GVR0.8
NYLN-ALLYL-ANILINEA1OVK0.73
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.76
PL01-phenylguanidineA2O8W0.75
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.82
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
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
BAMBENZAMIDINEU1F5K0.73
BAMBENZAMIDINEX2BY80.73
BAMBENZAMIDINEB2PSM0.73
BAMBENZAMIDINEX2BY90.73
BAMBENZAMIDINEA1C1N0.73
BAMBENZAMIDINEX2BY60.73
BAMBENZAMIDINEH,I1C5O0.73
BAMBENZAMIDINEA1XX40.73
BAMBENZAMIDINEA1HJ80.73
BAMBENZAMIDINEA1C5P0.73
BAMBENZAMIDINEB1C5Z0.73
BAMBENZAMIDINEA,B1ZVW0.73
BAMBENZAMIDINEA2ANW0.73
BAMBENZAMIDINEA2ANY0.73
BAMBENZAMIDINEX2BYA0.73
BAMBENZAMIDINEA1TIO0.73
BAMBENZAMIDINEX2BY50.73
BAMBENZAMIDINEX2BY70.73
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.73
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.78
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE
A2GYX0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
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
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.81
264(phenylamino)acetonitrileA2RBN0.72
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.73