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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00334259

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.75
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.75
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.75
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE		A,B,C,D1WOK0.7
NTMQUINOLINIC ACIDA3C2O0.8
NTMQUINOLINIC ACIDA,B1QAP0.8
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.8
NTMQUINOLINIC ACIDA,B,C2B7N0.8
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE		C,D2PKS0.7
PL4(2S,6S)-2-amino-6-[({3-hydroxy-
2-methyl-5-[(phosphonooxy)methyl]pyridin-
4-yl}methyl)amino]heptanedioic acid		A,B3EI60.7
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.71
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		X2P3G0.7
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.76
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.76
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.7
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.72
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.73
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide		A3HNG0.71
PD8PHOSPHORYLATED DIHYDROPTEROATEA1W780.72
NIXNALIDIXIC ACIDA,B2BQ20.71
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.7
PL5(2S,6S)-2-amino-6-{[(1E)-{3-hydroxy-
2-methyl-5-[(phosphonooxy)methyl]pyridin-
4-yl}methylidene]amino}heptanedioic acid		A,B3EI80.7
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.73
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.7
4643-[5-({5-[(AMINOCARBONYL)AMINO]-
2-OXO-2H-INDOL-3-YL}METHYL)-1H-
PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE		A2PE20.7
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.79
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.71
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.73
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.73
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.8
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.74
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.74
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.74
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.74
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid		A3BQR0.76
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2I0T0.75
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		A,B,C,D,K,L,
M,N		2J570.75
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2OK40.75
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2IUR0.75
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2AGW0.75
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		A,B,H,L,M2J560.75
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2IUV0.75
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2OK60.75
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.72
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.75
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.73
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.73
N12N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE		H,P2ANK0.74
I01(4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-
BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-
4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER		A1SVE0.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.76
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.76
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.71
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.82
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.82
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.82
QNDQUINALDIC ACIDA,B1IDA0.8
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.76
BTR6-BROMO-TRYPTOPHANA1WCT0.7
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.78
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.74
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.76
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.71
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.74
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE		2,H,K,N,V,Y2F160.71
PYCPYRROLE-2-CARBOXYLATEA1W620.73
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.73
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.73
PYCPYRROLE-2-CARBOXYLATEA,B1W610.73
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.73
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.75
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.73
I04N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-
3-METHOXY-BENZOYL)-BENZOYLAMINO]-
AZEPAN-3-YL}ISONICOTINAMIDE		A1SVG0.71
R96N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH70.73
4HT4-HYDROXYTRYPTOPHANH,L1RU90.72
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.72
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.72
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.72
BMSA,B1DKF0.78
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.74
MMG4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-yl)benzoic acid		A3HDM0.75
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.73
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T		2VUM0.73
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.73
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.76
R68N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-
2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-
3-YL}ISONICOTINAMIDE		A1XHA0.71
R68N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-
2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-
3-YL}ISONICOTINAMIDE		A,B1XH50.71
PT1PTEROIC ACIDA,B1TX00.72
PT1PTEROIC ACIDA1BR60.72
PT1PTEROIC ACIDA,B1HWP0.72
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID		B2I030.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G190.77
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G1M0.77
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.77
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.72
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.72
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.74
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.74
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.74
CDO2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-
3-YL)METHYLCARBAMOYL)-2H-PYRROL-
1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-
2-YLAMINO)ACETIC ACID		H2ANM0.74
GGVB3GGV0.72
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.74
DTRD-TRYPTOPHANA,B,C,D2R3C0.74
DTRD-TRYPTOPHANA1XY80.74
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.74
DTRD-TRYPTOPHANA2V7K0.74
DTRD-TRYPTOPHANA,D1CZQ0.74
DTRD-TRYPTOPHANA1DFY0.74
DTRD-TRYPTOPHANA1XY50.74
DTRD-TRYPTOPHANA1NXN0.74
DTRD-TRYPTOPHANA1TKF0.74
DTRD-TRYPTOPHANA1YL90.74
DTRD-TRYPTOPHANA1XXZ0.74
DTRD-TRYPTOPHANA1XY40.74
DTRD-TRYPTOPHANA,D2Q3I0.74
DTRD-TRYPTOPHANA1QFB0.74
DTRD-TRYPTOPHANA1DFZ0.74
DTRD-TRYPTOPHANA1XY90.74
DTRD-TRYPTOPHANA1XY60.74
DTRD-TRYPTOPHANA2SOC0.74
DTRD-TRYPTOPHANA2JUE0.74
DTRD-TRYPTOPHANA1SOC0.74
DTRD-TRYPTOPHANA1YL80.74
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.74
DTRD-TRYPTOPHANA,B2Q330.74
DTRD-TRYPTOPHANA1DG00.74
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.74
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.82
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE		A,B2NO30.71
4FW4-FLUOROTRYPTOPHANEA1RM90.73
FTRFLUOROTRYPTOPHANEA2JT80.73
FTRFLUOROTRYPTOPHANEA,B1NF00.73
FTRFLUOROTRYPTOPHANEA2JTZ0.73
FTRFLUOROTRYPTOPHANEA,B1I450.73
FTRFLUOROTRYPTOPHANEA,B2ZNX0.73
FTRFLUOROTRYPTOPHANEA,B1NEY0.73
FTRFLUOROTRYPTOPHANEA,B5FWG0.73
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.72
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.71
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.79
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.74
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.7
MYTMETYRAPONEA1PHG0.71
MYTMETYRAPONEA1W0G0.71
TITN-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-
3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-
L-VALYL]AMINO}PENTANOYL)-L-ALANYL-
L-LEUCINAMIDE		A,B1W6H0.73
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.8
39Z5-HYDROXY-3-[(1R)-1-(1H-PYRROL-
2-YL)ETHYL]-2H-INDOL-2-ONE		A2PE00.72
R94N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-
1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-
3-YL)ISONICOTINAMIDE		A1XH60.74
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.71
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.81
AKPN-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-
N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-
1,1-DIHYDROXY-2-OXOETHYL]BUT-3-
ENYL}-3-CYCLOHEXYLALANINAMIDE		A,B1RGQ0.7
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.72
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.72
L92(2S)-3-{4-[3-(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)PROPYL]PHENYL}-
2-(1H-PYRROL-1-YL)PROPANOIC ACID		A2Q8S0.71
RSS5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-
HEXANOIC ACID		A,B1MMP0.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.82
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.82
QUI2-CARBOXYQUINOXALINEA1PFE0.72
QUI2-CARBOXYQUINOXALINEA,B2DA80.72
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.72
QUI2-CARBOXYQUINOXALINEA1VS20.72
QUI2-CARBOXYQUINOXALINEA1XVN0.72
QUI2-CARBOXYQUINOXALINEA,B185D0.72
QUI2-CARBOXYQUINOXALINEA1XVK0.72
QUI2-CARBOXYQUINOXALINEA,C1XVR0.72
QUI2-CARBOXYQUINOXALINEA,B3GO30.72
A85N-{1-BENZYL-2,2-DIFLUORO-3,3-DIHYDROXY-
4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-
2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-
5-PHENYL-PENTYL}-3-METHYL-2-(3-
METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRAMIDE		A,B1DIF0.7
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID		A2AYW0.71
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.72
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.73
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER		B2AQU0.71
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER		A2FXD0.71
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER		A2O4K0.71
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER		A,B2FXE0.71
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.73
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.73
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.73
SAS2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACIDA,B13GS0.71
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.73
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID		A,B1UTZ0.73
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2HBT0.72
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2HBU0.72
2SMmethyl 2-{[(4-methylpyrimidin-2-
yl)carbamoyl]sulfamoyl}benzoate		A3EA40.72
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL		H,I1AIX0.75
4PPC,L1XKA0.78
4PPA,B,C,D1XKB0.78
GGWmethyl [(1S,4S,5S,7S,10S)-4-benzyl-
1,10-di-tert-butyl-5-hydroxy-2,9,12-
trioxo-7-(4-pyridin-2-ylbenzyl)-
13-oxa-3,8,11-triazatetradec-1-
yl]carbamate		H3GGA0.73
R55N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH80.73
PY7PYRIDIN-4-YLMETHANOLA2EUR0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,D,F,G,H,
J,K,L,N,O,P		2GC40.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,H,L,M2J550.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2Q7Q0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,G1JMZ0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E,G,I2H470.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MG20.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,D,F,H,J,L,
N,P		2GC70.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2OJY0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2IUP0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGX0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2HJ40.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2HKR0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGZ0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E,F2H3X0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,D,H2IUQ0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,G1JMX0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2HJB0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,C,H,L2MTA0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2OIZ0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,L,M3C750.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AH00.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,C1JJU0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,L,M1MDA0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2HKM0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGY0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		L,M2BBK0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		L2MAD0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGL0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E2IAA0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AH10.74
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.73
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.73
4IN4-AMINO-L-TRYPTOPHANA1OXF0.73
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.72
NIONICOTINIC ACIDA1JHQ0.8
NIONICOTINIC ACIDA1L5L0.8
NIONICOTINIC ACIDA2F7F0.8
NIONICOTINIC ACIDA1L5K0.8
NIONICOTINIC ACIDA1JHY0.8
NIONICOTINIC ACIDA,B1FSL0.8
NIONICOTINIC ACIDA1L5M0.8
NIONICOTINIC ACIDA1LH60.8
NIONICOTINIC ACIDA1JHO0.8
NIONICOTINIC ACIDA3CI80.8
NIONICOTINIC ACIDA,B,C,D1ICU0.8
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.8
NIONICOTINIC ACIDA1JHA0.8
NIONICOTINIC ACIDA1JHV0.8
NIONICOTINIC ACIDA1L4N0.8
NIONICOTINIC ACIDA2LH60.8
NIONICOTINIC ACIDA1D0V0.8
NIONICOTINIC ACIDA,B,C,D1ICV0.8
NIONICOTINIC ACIDA,B1ICR0.8
NIONICOTINIC ACIDA1JHR0.8
24XH,L2EC90.77
3IL3-(INDOL-3-YL) LACTATEA2A7P0.72
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.75
IOPINDOLYLPROPIONIC ACIDA2OLI0.75
IOPINDOLYLPROPIONIC ACIDA,B2AY50.75
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.72
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N		A1AU40.72
238A2PRH0.72
BRFA1UUO0.76
985(2E)-3-{3-[6-(4-methyl-1,4-diazepan-
1-yl)pyrazin-2-yl]phenyl}prop-2-
enoic acid		A3F2A0.71
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.78
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide		A,B3CPB0.71
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A,B2PSJ0.71
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A2F8P0.71
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A1S360.71
NCANICOTINAMIDEA,B2E5D0.71
NCANICOTINAMIDEA,B,C,D2Z770.71
NCANICOTINAMIDEA,B1DMA0.71
NCANICOTINAMIDEA,B1ISM0.71
NCANICOTINAMIDEA,B1YC50.71
NCANICOTINAMIDEA2ZB70.71
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.71
NCANICOTINAMIDEA,B2QQG0.71
NCANICOTINAMIDEA2OTV0.71
NCANICOTINAMIDEA2QHF0.71
NCANICOTINAMIDEA,B,C,D2C8A0.71
NCANICOTINAMIDEA,B2HJH0.71
NCANICOTINAMIDEA2A150.71
NCANICOTINAMIDEA2R6V0.71
NCANICOTINAMIDEA,B1ISI0.71
NCANICOTINAMIDEA,D,E2R9J0.71
NCANICOTINAMIDEA2H4J0.71
NCANICOTINAMIDEA,B2OD90.71
NCANICOTINAMIDEA,B,C,D,E1YC20.71
NCANICOTINAMIDEA,B3DZG0.71
NCANICOTINAMIDEA1OJU0.71
0AF7-hydroxy-L-tryptophanL1MAE0.7
0AF7-hydroxy-L-tryptophanL1MAF0.7
APT2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-
METHYL]-4-HYDROXY-PTERIDIN-1-IUM		A,B1QCJ0.71
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.72
6CW6-CHLORO-L-TRYPTOPHANB2GV20.7
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.7
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.82
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.82
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.82
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.82
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide		A3DKO0.72
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.75
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.75
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.77
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.77
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.77
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.77
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.77
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.77
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL		A1QXY0.72
I08(3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-
6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-
VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE		A1SVH0.72
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.81
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.81
A1T5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-
4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-
4-YL]PYRIDINE-2-CARBOXAMIDE		A2IGX0.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.74
VRSVIRGINIAMYCIN S10,1,2,3,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		1YIT0.71
163(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID		D,H1O0D0.71
PYF3-PYRIDINYLCARBINOLA,B1R160.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.74
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.74
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.74
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.74
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH40.76
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH90.76
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.72
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.72
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.72
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.72
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.72
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID		D,H1NZQ0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.74
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.74
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.7
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A,B1E510.77
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A1OHL0.77
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.75
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUJ0.71
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.74