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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00127723

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PYCPYRROLE-2-CARBOXYLATEA1W620.7
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.7
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.7
PYCPYRROLE-2-CARBOXYLATEA,B1W610.7
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.7
627N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-
C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-
1-YL)BENZAMIDE		A,B2J500.73
627N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-
C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-
1-YL)BENZAMIDE		A,B2V7A0.73
BMSA,B1DKF0.73
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.71
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.71
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide		A3HNG0.71
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.74
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.73
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.7
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.73
BEJN,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-
GLUCARYL]-DI-[VALYL-AMIDO-METHANE]		B1EC20.7
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.7
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.7
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.7
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.7
NTMQUINOLINIC ACIDA3C2O0.76
NTMQUINOLINIC ACIDA,B1QAP0.76
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.76
NTMQUINOLINIC ACIDA,B,C2B7N0.76
NIONICOTINIC ACIDA1JHQ0.77
NIONICOTINIC ACIDA1L5L0.77
NIONICOTINIC ACIDA2F7F0.77
NIONICOTINIC ACIDA1L5K0.77
NIONICOTINIC ACIDA1JHY0.77
NIONICOTINIC ACIDA,B1FSL0.77
NIONICOTINIC ACIDA1L5M0.77
NIONICOTINIC ACIDA1LH60.77
NIONICOTINIC ACIDA1JHO0.77
NIONICOTINIC ACIDA3CI80.77
NIONICOTINIC ACIDA,B,C,D1ICU0.77
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.77
NIONICOTINIC ACIDA1JHA0.77
NIONICOTINIC ACIDA1JHV0.77
NIONICOTINIC ACIDA1L4N0.77
NIONICOTINIC ACIDA2LH60.77
NIONICOTINIC ACIDA1D0V0.77
NIONICOTINIC ACIDA,B,C,D1ICV0.77
NIONICOTINIC ACIDA,B1ICR0.77
NIONICOTINIC ACIDA1JHR0.77
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate		A,B,C,D3DEI0.7
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.74
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.73
NCANICOTINAMIDEA,B2E5D0.72
NCANICOTINAMIDEA,B,C,D2Z770.72
NCANICOTINAMIDEA,B1DMA0.72
NCANICOTINAMIDEA,B1ISM0.72
NCANICOTINAMIDEA,B1YC50.72
NCANICOTINAMIDEA2ZB70.72
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.72
NCANICOTINAMIDEA,B2QQG0.72
NCANICOTINAMIDEA2OTV0.72
NCANICOTINAMIDEA2QHF0.72
NCANICOTINAMIDEA,B,C,D2C8A0.72
NCANICOTINAMIDEA,B2HJH0.72
NCANICOTINAMIDEA2A150.72
NCANICOTINAMIDEA2R6V0.72
NCANICOTINAMIDEA,B1ISI0.72
NCANICOTINAMIDEA,D,E2R9J0.72
NCANICOTINAMIDEA2H4J0.72
NCANICOTINAMIDEA,B2OD90.72
NCANICOTINAMIDEA,B,C,D,E1YC20.72
NCANICOTINAMIDEA,B3DZG0.72
NCANICOTINAMIDEA1OJU0.72
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.72
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.72
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.72
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.72
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.72
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.72
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.7
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.7
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.7
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.7
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDU0.74
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide		A,B2P2I0.72
NNRNicotinamide ribosideA2QT00.73
NNRNicotinamide ribosideA2QT10.73
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.74
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.72
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.81
TITN-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-
3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-
L-VALYL]AMINO}PENTANOYL)-L-ALANYL-
L-LEUCINAMIDE		A,B1W6H0.74
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.75
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.7
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.72
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUK0.75
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.73
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.73
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE		A1F400.73
MS3N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-
[VALINYL-AMINOMETHANYL-PYRIDINE]		A1EC30.72
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE		A1FLS0.7
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE		A1FM10.7
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide		A3DKO0.72
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL		H,I1AIX0.72
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.78
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.73
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.71
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.71
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.7
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.75
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N		A1AU40.74
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUJ0.76
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.76