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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01735586

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.77
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.74
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.73
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.73
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.73
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.73
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.73
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.73
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.73
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.73
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.73
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.73
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.73
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.73
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.7
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.73
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C060.72
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C0A0.72
NIONICOTINIC ACIDA1JHQ0.73
NIONICOTINIC ACIDA1L5L0.73
NIONICOTINIC ACIDA2F7F0.73
NIONICOTINIC ACIDA1L5K0.73
NIONICOTINIC ACIDA1JHY0.73
NIONICOTINIC ACIDA,B1FSL0.73
NIONICOTINIC ACIDA1L5M0.73
NIONICOTINIC ACIDA1LH60.73
NIONICOTINIC ACIDA1JHO0.73
NIONICOTINIC ACIDA3CI80.73
NIONICOTINIC ACIDA,B,C,D1ICU0.73
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.73
NIONICOTINIC ACIDA1JHA0.73
NIONICOTINIC ACIDA1JHV0.73
NIONICOTINIC ACIDA1L4N0.73
NIONICOTINIC ACIDA2LH60.73
NIONICOTINIC ACIDA1D0V0.73
NIONICOTINIC ACIDA,B,C,D1ICV0.73
NIONICOTINIC ACIDA,B1ICR0.73
NIONICOTINIC ACIDA1JHR0.73
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.7
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.7
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.74
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.71
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.77
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.7
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.7
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.71
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDU0.74
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL		H,I1AIX0.74
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.73
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.72
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N		A1AU40.72
7CS(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL 1H-PYRROLO[2,3-B]PYRIDINE-
3-CARBOXYLATE		A2QHM0.72
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.73
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE		A,B,C,D1H690.7
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.72
627N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-
C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-
1-YL)BENZAMIDE		A,B2J500.71
627N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-
C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-
1-YL)BENZAMIDE		A,B2V7A0.71
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.72
LY4(9R)-9-[(DIMETHYLAMINO)METHYL]-
6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-
DIMETHENODIBENZO[E,K]PYRROLO[3,4-
H][1,4,13]OXADIAZACYCLOHEXADECINE-
18,20-DIONE		B2J2I0.7
LY4(9R)-9-[(DIMETHYLAMINO)METHYL]-
6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-
DIMETHENODIBENZO[E,K]PYRROLO[3,4-
H][1,4,13]OXADIAZACYCLOHEXADECINE-
18,20-DIONE		A1UU30.7
NTMQUINOLINIC ACIDA3C2O0.72
NTMQUINOLINIC ACIDA,B1QAP0.72
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.72
NTMQUINOLINIC ACIDA,B,C2B7N0.72
LI33-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-
4-YLBENZAMIDE		A1WBV0.7
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.71
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A1C8L0.7
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A2AMV0.7
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A3AMV0.7
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE		A1F400.74
NNRNicotinamide ribosideA2QT00.72
NNRNicotinamide ribosideA2QT10.72