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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03405622

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9AP9-AMINOPHENANTHRENEA1EGY0.72
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.78
DRG5,6-DIHYDRO-BENZO[H]CINNOLIN-3-
YLAMINE
A1P4F0.72
34A3,4-DIMETHYLANILINEA1L4K0.84
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.84
ISOPARA-ISOPROPYLANILINEA,B1ELC0.84
ISOPARA-ISOPROPYLANILINEA,B1ELB0.84
ISOPARA-ISOPROPYLANILINEA,B1ELA0.84
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.79
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.8
BENBENZAMIDINEA2TIO0.77
BENBENZAMIDINEA1J150.77
BENBENZAMIDINEA,B3BEU0.77
BENBENZAMIDINET1V2U0.77
BENBENZAMIDINEA,B,C,D,E,F3CF80.77
BENBENZAMIDINEA1S0R0.77
BENBENZAMIDINEA,B1V160.77
BENBENZAMIDINEA1CC70.77
BENBENZAMIDINEA3BG80.77
BENBENZAMIDINEA1CC80.77
BENBENZAMIDINEA3PTB0.77
BENBENZAMIDINEA,B1TRM0.77
BENBENZAMIDINEA1ZHR0.77
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.77
BENBENZAMIDINEA2BLV0.77
BENBENZAMIDINEA,B,C,D,E,F2GLP0.77
BENBENZAMIDINEH,I3D490.77
BENBENZAMIDINEH,L,T2AER0.77
BENBENZAMIDINEA1J140.77
BENBENZAMIDINEA1NSA0.77
BENBENZAMIDINEA2AYW0.77
BENBENZAMIDINEA1BRA0.77
BENBENZAMIDINEA,B,C,D1A0J0.77
BENBENZAMIDINEB,C,D2AST0.77
BENBENZAMIDINEA,B2CKR0.77
BENBENZAMIDINEA1LPU0.77
BENBENZAMIDINEA1ZHM0.77
BENBENZAMIDINEA1J8A0.77
BENBENZAMIDINEA,B3BCX0.77
BENBENZAMIDINEA,B,C,D,E,F3CF90.77
BENBENZAMIDINEA,B,C,D,E,F3D040.77
BENBENZAMIDINEA,B,C,D,E,F2GLL0.77
BENBENZAMIDINEA1AND0.77
BENBENZAMIDINEA2TBS0.77
BENBENZAMIDINEA,B,C,D,E,F3DP20.77
BENBENZAMIDINET1V2M0.77
BENBENZAMIDINEA2EEK0.77
BENBENZAMIDINEH,I2ZI20.77
BENBENZAMIDINET1V2J0.77
BENBENZAMIDINEH1KLI0.77
BENBENZAMIDINEA1CE50.77
BENBENZAMIDINEA,B,C,D,E,F3B7J0.77
BENBENZAMIDINEB,Y2PKA0.77
BENBENZAMIDINEA2VJ00.77
BENBENZAMIDINEA3B3J0.77
BENBENZAMIDINEA,B,C,D,E,F3DOY0.77
BENBENZAMIDINEA,B,C,D,E,F3DP30.77
BENBENZAMIDINEA,B,C,D,E,F2GLM0.77
BENBENZAMIDINEA1ANB0.77
BENBENZAMIDINEA1LO60.77
BENBENZAMIDINEA1LR40.77
BENBENZAMIDINEA,B1V1M0.77
BENBENZAMIDINEA1ZHP0.77
BENBENZAMIDINEA2J9N0.77
BENBENZAMIDINEA2BMV0.77
BENBENZAMIDINEA,B2CKS0.77
BENBENZAMIDINEA2BLW0.77
BENBENZAMIDINEA1J160.77
BENBENZAMIDINEA,B1V110.77
BENBENZAMIDINEA,B,C,D,E,F3DP00.77
BENBENZAMIDINEB1RTF0.77
BENBENZAMIDINEA,B,C,D,E,F3DP10.77
BENBENZAMIDINEA,B,C,D2E580.77
BENBENZAMIDINEA2TRM0.77
BENBENZAMIDINET1V2V0.77
BENBENZAMIDINEA1MBQ0.77
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.77
BENBENZAMIDINEA2O8U0.77
BENBENZAMIDINEH1DWB0.77
BENBENZAMIDINEB,C2ASS0.77
BENBENZAMIDINEA1ANE0.77
BENBENZAMIDINEH,I2ZIQ0.77
BENBENZAMIDINEA1BIT0.77
BENBENZAMIDINEA2AIQ0.77
BENBENZAMIDINEA2OQ50.77
BENBENZAMIDINEA1ANC0.77
BENBENZAMIDINEH1JBU0.77
BENBENZAMIDINEA,B2BPQ0.77
BENBENZAMIDINEA,B,C,D2GNN0.77
BENBENZAMIDINET1V2S0.77
BENBENZAMIDINEA1H4W0.77
BENBENZAMIDINEA1OSS0.77
BENBENZAMIDINEA1W800.77
BENBENZAMIDINEA1BTY0.77
BENBENZAMIDINEH,I2ZFQ0.77
BENBENZAMIDINEA1EAX0.77
BENBENZAMIDINEA1L2E0.77
BENBENZAMIDINEA1WRI0.77
BENBENZAMIDINEA,B3BB80.77
BENBENZAMIDINEA2OXS0.77
BENBENZAMIDINEA1DPO0.77
BENBENZAMIDINET1V2L0.77
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.71
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.75
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
3NT3-NITROTOLUENEA,B2BMR0.7
3NT3-NITROTOLUENEA,B2HMO0.7
ANLANILINEA2OV40.73
ANLANILINEA1AEE0.73
ANLANILINEA1PPA0.73
ANLANILINEA1HJ90.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
PRY2-PROPYL-ANILINEA1OWY0.84
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.78
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
BAMBENZAMIDINEU1F5K0.77
BAMBENZAMIDINEX2BY80.77
BAMBENZAMIDINEB2PSM0.77
BAMBENZAMIDINEX2BY90.77
BAMBENZAMIDINEA1C1N0.77
BAMBENZAMIDINEX2BY60.77
BAMBENZAMIDINEH,I1C5O0.77
BAMBENZAMIDINEA1XX40.77
BAMBENZAMIDINEA1HJ80.77
BAMBENZAMIDINEA1C5P0.77
BAMBENZAMIDINEB1C5Z0.77
BAMBENZAMIDINEA,B1ZVW0.77
BAMBENZAMIDINEA2ANW0.77
BAMBENZAMIDINEA2ANY0.77
BAMBENZAMIDINEX2BYA0.77
BAMBENZAMIDINEA1TIO0.77
BAMBENZAMIDINEX2BY50.77
BAMBENZAMIDINEX2BY70.77
BRNBERENILA,B268D0.86
BRNBERENILA,B1D630.86
BRNBERENILA,D,E2GBY0.86
BRNBERENILA2DBE0.86
BRNBERENILA2GVR0.86
1AN2-FLUOROANILINEA1LGW0.71
MGRMALACHITE GREENA,B3BQZ0.75
MGRMALACHITE GREENA1Q8N0.75
MGRMALACHITE GREENA,B3BR00.75
MGRMALACHITE GREENA,D,E3BTL0.75
MGRMALACHITE GREENA,B,D,E3BTC0.75
MGRMALACHITE GREENA,B,D,E1JUP0.75
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.76
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.81
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.72
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.7
CVICRYSTAL VIOLETA,B,D,E1JTX0.75
PBZP-AMINO BENZAMIDINEA,B2BDG0.9
PBZP-AMINO BENZAMIDINEA1RFN0.9
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.9
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.9
PBZP-AMINO BENZAMIDINEA1FIZ0.9
PBZP-AMINO BENZAMIDINEA1FIW0.9
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.9