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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005410

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.7
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.72
9AP9-AMINOPHENANTHRENEA1EGY0.72
PBZP-AMINO BENZAMIDINEA,B2BDG1
PBZP-AMINO BENZAMIDINEA1RFN1
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI1
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH1
PBZP-AMINO BENZAMIDINEA1FIZ1
PBZP-AMINO BENZAMIDINEA1FIW1
PBZP-AMINO BENZAMIDINEH,L,T2A2Q1
BENBENZAMIDINEA2TIO0.86
BENBENZAMIDINEA1J150.86
BENBENZAMIDINEA,B3BEU0.86
BENBENZAMIDINET1V2U0.86
BENBENZAMIDINEA,B,C,D,E,F3CF80.86
BENBENZAMIDINEA1S0R0.86
BENBENZAMIDINEA,B1V160.86
BENBENZAMIDINEA1CC70.86
BENBENZAMIDINEA3BG80.86
BENBENZAMIDINEA1CC80.86
BENBENZAMIDINEA3PTB0.86
BENBENZAMIDINEA,B1TRM0.86
BENBENZAMIDINEA1ZHR0.86
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.86
BENBENZAMIDINEA2BLV0.86
BENBENZAMIDINEA,B,C,D,E,F2GLP0.86
BENBENZAMIDINEH,I3D490.86
BENBENZAMIDINEH,L,T2AER0.86
BENBENZAMIDINEA1J140.86
BENBENZAMIDINEA1NSA0.86
BENBENZAMIDINEA2AYW0.86
BENBENZAMIDINEA1BRA0.86
BENBENZAMIDINEA,B,C,D1A0J0.86
BENBENZAMIDINEB,C,D2AST0.86
BENBENZAMIDINEA,B2CKR0.86
BENBENZAMIDINEA1LPU0.86
BENBENZAMIDINEA1ZHM0.86
BENBENZAMIDINEA1J8A0.86
BENBENZAMIDINEA,B3BCX0.86
BENBENZAMIDINEA,B,C,D,E,F3CF90.86
BENBENZAMIDINEA,B,C,D,E,F3D040.86
BENBENZAMIDINEA,B,C,D,E,F2GLL0.86
BENBENZAMIDINEA1AND0.86
BENBENZAMIDINEA2TBS0.86
BENBENZAMIDINEA,B,C,D,E,F3DP20.86
BENBENZAMIDINET1V2M0.86
BENBENZAMIDINEA2EEK0.86
BENBENZAMIDINEH,I2ZI20.86
BENBENZAMIDINET1V2J0.86
BENBENZAMIDINEH1KLI0.86
BENBENZAMIDINEA1CE50.86
BENBENZAMIDINEA,B,C,D,E,F3B7J0.86
BENBENZAMIDINEB,Y2PKA0.86
BENBENZAMIDINEA2VJ00.86
BENBENZAMIDINEA3B3J0.86
BENBENZAMIDINEA,B,C,D,E,F3DOY0.86
BENBENZAMIDINEA,B,C,D,E,F3DP30.86
BENBENZAMIDINEA,B,C,D,E,F2GLM0.86
BENBENZAMIDINEA1ANB0.86
BENBENZAMIDINEA1LO60.86
BENBENZAMIDINEA1LR40.86
BENBENZAMIDINEA,B1V1M0.86
BENBENZAMIDINEA1ZHP0.86
BENBENZAMIDINEA2J9N0.86
BENBENZAMIDINEA2BMV0.86
BENBENZAMIDINEA,B2CKS0.86
BENBENZAMIDINEA2BLW0.86
BENBENZAMIDINEA1J160.86
BENBENZAMIDINEA,B1V110.86
BENBENZAMIDINEA,B,C,D,E,F3DP00.86
BENBENZAMIDINEB1RTF0.86
BENBENZAMIDINEA,B,C,D,E,F3DP10.86
BENBENZAMIDINEA,B,C,D2E580.86
BENBENZAMIDINEA2TRM0.86
BENBENZAMIDINET1V2V0.86
BENBENZAMIDINEA1MBQ0.86
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.86
BENBENZAMIDINEA2O8U0.86
BENBENZAMIDINEH1DWB0.86
BENBENZAMIDINEB,C2ASS0.86
BENBENZAMIDINEA1ANE0.86
BENBENZAMIDINEH,I2ZIQ0.86
BENBENZAMIDINEA1BIT0.86
BENBENZAMIDINEA2AIQ0.86
BENBENZAMIDINEA2OQ50.86
BENBENZAMIDINEA1ANC0.86
BENBENZAMIDINEH1JBU0.86
BENBENZAMIDINEA,B2BPQ0.86
BENBENZAMIDINEA,B,C,D2GNN0.86
BENBENZAMIDINET1V2S0.86
BENBENZAMIDINEA1H4W0.86
BENBENZAMIDINEA1OSS0.86
BENBENZAMIDINEA1W800.86
BENBENZAMIDINEA1BTY0.86
BENBENZAMIDINEH,I2ZFQ0.86
BENBENZAMIDINEA1EAX0.86
BENBENZAMIDINEA1L2E0.86
BENBENZAMIDINEA1WRI0.86
BENBENZAMIDINEA,B3BB80.86
BENBENZAMIDINEA2OXS0.86
BENBENZAMIDINEA1DPO0.86
BENBENZAMIDINET1V2L0.86
3AB3-aminobenzamideA,B,C,D3GOY0.72
5AN3,5-DIFLUOROANILINEA1LGX0.73
ANLANILINEA2OV40.77
ANLANILINEA1AEE0.77
ANLANILINEA1PPA0.77
ANLANILINEA1HJ90.77
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.82
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.77
BRNBERENILA,B268D0.88
BRNBERENILA,B1D630.88
BRNBERENILA,D,E2GBY0.88
BRNBERENILA2DBE0.88
BRNBERENILA2GVR0.88
3NT3-NITROTOLUENEA,B2BMR0.72
3NT3-NITROTOLUENEA,B2HMO0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.7
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.84
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
PHZ1-PHENYLHYDRAZINEA2E2T0.74
PHZ1-PHENYLHYDRAZINED,H2AGL0.74
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.7
1AN2-FLUOROANILINEA1LGW0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.74
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.82
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.78
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
PL01-phenylguanidineA2O8W0.74
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.8
BAMBENZAMIDINEU1F5K0.86
BAMBENZAMIDINEX2BY80.86
BAMBENZAMIDINEB2PSM0.86
BAMBENZAMIDINEX2BY90.86
BAMBENZAMIDINEA1C1N0.86
BAMBENZAMIDINEX2BY60.86
BAMBENZAMIDINEH,I1C5O0.86
BAMBENZAMIDINEA1XX40.86
BAMBENZAMIDINEA1HJ80.86
BAMBENZAMIDINEA1C5P0.86
BAMBENZAMIDINEB1C5Z0.86
BAMBENZAMIDINEA,B1ZVW0.86
BAMBENZAMIDINEA2ANW0.86
BAMBENZAMIDINEA2ANY0.86
BAMBENZAMIDINEX2BYA0.86
BAMBENZAMIDINEA1TIO0.86
BAMBENZAMIDINEX2BY50.86
BAMBENZAMIDINEX2BY70.86
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.8
34A3,4-DIMETHYLANILINEA1L4K0.82
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
ISOPARA-ISOPROPYLANILINEA1BMA0.82
ISOPARA-ISOPROPYLANILINEA,B1ELC0.82
ISOPARA-ISOPROPYLANILINEA,B1ELB0.82
ISOPARA-ISOPROPYLANILINEA,B1ELA0.82
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.83
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.83
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.83
CVICRYSTAL VIOLETA,B,D,E1JTX0.7
PRY2-PROPYL-ANILINEA1OWY0.83
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.75
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.82
MGRMALACHITE GREENA,B3BQZ0.7
MGRMALACHITE GREENA1Q8N0.7
MGRMALACHITE GREENA,B3BR00.7
MGRMALACHITE GREENA,D,E3BTL0.7
MGRMALACHITE GREENA,B,D,E3BTC0.7
MGRMALACHITE GREENA,B,D,E1JUP0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.7