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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00047522

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9AP9-AMINOPHENANTHRENEA1EGY0.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
BRNBERENILA,B268D0.79
BRNBERENILA,B1D630.79
BRNBERENILA,D,E2GBY0.79
BRNBERENILA2DBE0.79
BRNBERENILA2GVR0.79
34A3,4-DIMETHYLANILINEA1L4K0.84
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
ISOPARA-ISOPROPYLANILINEA1BMA0.84
ISOPARA-ISOPROPYLANILINEA,B1ELC0.84
ISOPARA-ISOPROPYLANILINEA,B1ELB0.84
ISOPARA-ISOPROPYLANILINEA,B1ELA0.84
NIT4-NITROANILINEC,D1RMH0.71
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.71
NIT4-NITROANILINEB1VBS0.71
NIT4-NITROANILINEC1V9T0.71
NIT4-NITROANILINEC,D1VBT0.71
NIT4-NITROANILINEB1LOP0.71
NIT4-NITROANILINEC,D1ZKF0.71
NIT4-NITROANILINEB1PIP0.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.86
PBZP-AMINO BENZAMIDINEA1RFN0.86
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.86
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.86
PBZP-AMINO BENZAMIDINEA1FIZ0.86
PBZP-AMINO BENZAMIDINEA1FIW0.86
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.86
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.78
PNZP-NITRO-BENZYLAMINEA,B2C700.78
3AB3-aminobenzamideA,B,C,D3GOY0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.8
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.72
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.71
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
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
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.83
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.74
ANLANILINEA2OV40.73
ANLANILINEA1AEE0.73
ANLANILINEA1PPA0.73
ANLANILINEA1HJ90.73
PRY2-PROPYL-ANILINEA1OWY0.84
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
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
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
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.81
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
CVICRYSTAL VIOLETA,B,D,E1JTX0.75