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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03089224

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
PBZP-AMINO BENZAMIDINEA,B2BDG0.91
PBZP-AMINO BENZAMIDINEA1RFN0.91
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.91
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.91
PBZP-AMINO BENZAMIDINEA1FIZ0.91
PBZP-AMINO BENZAMIDINEA1FIW0.91
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.91
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.79
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.8
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.77
BRNBERENILA,B268D0.81
BRNBERENILA,B1D630.81
BRNBERENILA,D,E2GBY0.81
BRNBERENILA2DBE0.81
BRNBERENILA2GVR0.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
BAMBENZAMIDINEU1F5K0.8
BAMBENZAMIDINEX2BY80.8
BAMBENZAMIDINEB2PSM0.8
BAMBENZAMIDINEX2BY90.8
BAMBENZAMIDINEA1C1N0.8
BAMBENZAMIDINEX2BY60.8
BAMBENZAMIDINEH,I1C5O0.8
BAMBENZAMIDINEA1XX40.8
BAMBENZAMIDINEA1HJ80.8
BAMBENZAMIDINEA1C5P0.8
BAMBENZAMIDINEB1C5Z0.8
BAMBENZAMIDINEA,B1ZVW0.8
BAMBENZAMIDINEA2ANW0.8
BAMBENZAMIDINEA2ANY0.8
BAMBENZAMIDINEX2BYA0.8
BAMBENZAMIDINEA1TIO0.8
BAMBENZAMIDINEX2BY50.8
BAMBENZAMIDINEX2BY70.8
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
34A3,4-DIMETHYLANILINEA1L4K0.77
ISOPARA-ISOPROPYLANILINEA1BMA0.77
ISOPARA-ISOPROPYLANILINEA,B1ELC0.77
ISOPARA-ISOPROPYLANILINEA,B1ELB0.77
ISOPARA-ISOPROPYLANILINEA,B1ELA0.77
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
SOAISATOIC ANHYDRIDEA1BIO0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.8
XYD2,5-DIMETHYLANILINEA1L4L0.8
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
NBENITROSOBENZENEA1LH70.7
NBENITROSOBENZENEA2LH70.7
NBENITROSOBENZENEA2NSS0.7
NIT4-NITROANILINEC,D1RMH0.72
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.72
NIT4-NITROANILINEB1VBS0.72
NIT4-NITROANILINEC1V9T0.72
NIT4-NITROANILINEC,D1VBT0.72
NIT4-NITROANILINEB1LOP0.72
NIT4-NITROANILINEC,D1ZKF0.72
NIT4-NITROANILINEB1PIP0.72
PRY2-PROPYL-ANILINEA1OWY0.81
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
1AN2-FLUOROANILINEA1LGW0.71
3AB3-aminobenzamideA,B,C,D3GOY0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.77
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.74
BENBENZAMIDINEA2TIO0.8
BENBENZAMIDINEA1J150.8
BENBENZAMIDINEA,B3BEU0.8
BENBENZAMIDINET1V2U0.8
BENBENZAMIDINEA,B,C,D,E,F3CF80.8
BENBENZAMIDINEA1S0R0.8
BENBENZAMIDINEA,B1V160.8
BENBENZAMIDINEA1CC70.8
BENBENZAMIDINEA3BG80.8
BENBENZAMIDINEA1CC80.8
BENBENZAMIDINEA3PTB0.8
BENBENZAMIDINEA,B1TRM0.8
BENBENZAMIDINEA1ZHR0.8
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.8
BENBENZAMIDINEA2BLV0.8
BENBENZAMIDINEA,B,C,D,E,F2GLP0.8
BENBENZAMIDINEH,I3D490.8
BENBENZAMIDINEH,L,T2AER0.8
BENBENZAMIDINEA1J140.8
BENBENZAMIDINEA1NSA0.8
BENBENZAMIDINEA2AYW0.8
BENBENZAMIDINEA1BRA0.8
BENBENZAMIDINEA,B,C,D1A0J0.8
BENBENZAMIDINEB,C,D2AST0.8
BENBENZAMIDINEA,B2CKR0.8
BENBENZAMIDINEA1LPU0.8
BENBENZAMIDINEA1ZHM0.8
BENBENZAMIDINEA1J8A0.8
BENBENZAMIDINEA,B3BCX0.8
BENBENZAMIDINEA,B,C,D,E,F3CF90.8
BENBENZAMIDINEA,B,C,D,E,F3D040.8
BENBENZAMIDINEA,B,C,D,E,F2GLL0.8
BENBENZAMIDINEA1AND0.8
BENBENZAMIDINEA2TBS0.8
BENBENZAMIDINEA,B,C,D,E,F3DP20.8
BENBENZAMIDINET1V2M0.8
BENBENZAMIDINEA2EEK0.8
BENBENZAMIDINEH,I2ZI20.8
BENBENZAMIDINET1V2J0.8
BENBENZAMIDINEH1KLI0.8
BENBENZAMIDINEA1CE50.8
BENBENZAMIDINEA,B,C,D,E,F3B7J0.8
BENBENZAMIDINEB,Y2PKA0.8
BENBENZAMIDINEA2VJ00.8
BENBENZAMIDINEA3B3J0.8
BENBENZAMIDINEA,B,C,D,E,F3DOY0.8
BENBENZAMIDINEA,B,C,D,E,F3DP30.8
BENBENZAMIDINEA,B,C,D,E,F2GLM0.8
BENBENZAMIDINEA1ANB0.8
BENBENZAMIDINEA1LO60.8
BENBENZAMIDINEA1LR40.8
BENBENZAMIDINEA,B1V1M0.8
BENBENZAMIDINEA1ZHP0.8
BENBENZAMIDINEA2J9N0.8
BENBENZAMIDINEA2BMV0.8
BENBENZAMIDINEA,B2CKS0.8
BENBENZAMIDINEA2BLW0.8
BENBENZAMIDINEA1J160.8
BENBENZAMIDINEA,B1V110.8
BENBENZAMIDINEA,B,C,D,E,F3DP00.8
BENBENZAMIDINEB1RTF0.8
BENBENZAMIDINEA,B,C,D,E,F3DP10.8
BENBENZAMIDINEA,B,C,D2E580.8
BENBENZAMIDINEA2TRM0.8
BENBENZAMIDINET1V2V0.8
BENBENZAMIDINEA1MBQ0.8
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.8
BENBENZAMIDINEA2O8U0.8
BENBENZAMIDINEH1DWB0.8
BENBENZAMIDINEB,C2ASS0.8
BENBENZAMIDINEA1ANE0.8
BENBENZAMIDINEH,I2ZIQ0.8
BENBENZAMIDINEA1BIT0.8
BENBENZAMIDINEA2AIQ0.8
BENBENZAMIDINEA2OQ50.8
BENBENZAMIDINEA1ANC0.8
BENBENZAMIDINEH1JBU0.8
BENBENZAMIDINEA,B2BPQ0.8
BENBENZAMIDINEA,B,C,D2GNN0.8
BENBENZAMIDINET1V2S0.8
BENBENZAMIDINEA1H4W0.8
BENBENZAMIDINEA1OSS0.8
BENBENZAMIDINEA1W800.8
BENBENZAMIDINEA1BTY0.8
BENBENZAMIDINEH,I2ZFQ0.8
BENBENZAMIDINEA1EAX0.8
BENBENZAMIDINEA1L2E0.8
BENBENZAMIDINEA1WRI0.8
BENBENZAMIDINEA,B3BB80.8
BENBENZAMIDINEA2OXS0.8
BENBENZAMIDINEA1DPO0.8
BENBENZAMIDINET1V2L0.8
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
TNL2,4,6-TRINITROTOLUENEA1GVR0.74