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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02604728

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.73
DZF5-DEAZAFOLIC ACIDA,B2DHF0.71
DZF5-DEAZAFOLIC ACIDA,B1DYH0.71
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.71
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G190.73
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G1M0.73
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.74
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.74
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.74
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.74
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.74
PQQPYRROLOQUINOLINE QUINONEA1KV90.74
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.74
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.74
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.74
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.74
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.74
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.74
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.74
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.74
PQQPYRROLOQUINOLINE QUINONEA1KB00.74
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.74
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.74
PQQPYRROLOQUINOLINE QUINONEA,C1G720.74
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.73
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.73
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.76
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.72
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID		A2AYW0.7
4FW4-FLUOROTRYPTOPHANEA1RM90.72
FTRFLUOROTRYPTOPHANEA2JT80.72
FTRFLUOROTRYPTOPHANEA,B1NF00.72
FTRFLUOROTRYPTOPHANEA2JTZ0.72
FTRFLUOROTRYPTOPHANEA,B1I450.72
FTRFLUOROTRYPTOPHANEA,B2ZNX0.72
FTRFLUOROTRYPTOPHANEA,B1NEY0.72
FTRFLUOROTRYPTOPHANEA,B5FWG0.72
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.75
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.75
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.75
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.75
APT2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-
METHYL]-4-HYDROXY-PTERIDIN-1-IUM		A,B1QCJ0.75
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.73
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.73
NIONICOTINIC ACIDA1JHQ0.75
NIONICOTINIC ACIDA1L5L0.75
NIONICOTINIC ACIDA2F7F0.75
NIONICOTINIC ACIDA1L5K0.75
NIONICOTINIC ACIDA1JHY0.75
NIONICOTINIC ACIDA,B1FSL0.75
NIONICOTINIC ACIDA1L5M0.75
NIONICOTINIC ACIDA1LH60.75
NIONICOTINIC ACIDA1JHO0.75
NIONICOTINIC ACIDA3CI80.75
NIONICOTINIC ACIDA,B,C,D1ICU0.75
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.75
NIONICOTINIC ACIDA1JHA0.75
NIONICOTINIC ACIDA1JHV0.75
NIONICOTINIC ACIDA1L4N0.75
NIONICOTINIC ACIDA2LH60.75
NIONICOTINIC ACIDA1D0V0.75
NIONICOTINIC ACIDA,B,C,D1ICV0.75
NIONICOTINIC ACIDA,B1ICR0.75
NIONICOTINIC ACIDA1JHR0.75
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.73
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A465D0.73
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A452D0.73
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid		A3A1L0.71
4HT4-HYDROXYTRYPTOPHANH,L1RU90.73
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.73
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.73
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.73
7HI(3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-
2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-
1(4H)-yl]-3,5-dihydroxyheptanoic acid		A,B,C,D3CD50.72
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.78
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.72
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.72
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID		A,B1C3E0.72
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.78
DTRD-TRYPTOPHANA,B,C,D2R3C0.73
DTRD-TRYPTOPHANA1XY80.73
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.73
DTRD-TRYPTOPHANA2V7K0.73
DTRD-TRYPTOPHANA,D1CZQ0.73
DTRD-TRYPTOPHANA1DFY0.73
DTRD-TRYPTOPHANA1XY50.73
DTRD-TRYPTOPHANA1NXN0.73
DTRD-TRYPTOPHANA1TKF0.73
DTRD-TRYPTOPHANA1YL90.73
DTRD-TRYPTOPHANA1XXZ0.73
DTRD-TRYPTOPHANA1XY40.73
DTRD-TRYPTOPHANA,D2Q3I0.73
DTRD-TRYPTOPHANA1QFB0.73
DTRD-TRYPTOPHANA1DFZ0.73
DTRD-TRYPTOPHANA1XY90.73
DTRD-TRYPTOPHANA1XY60.73
DTRD-TRYPTOPHANA2SOC0.73
DTRD-TRYPTOPHANA2JUE0.73
DTRD-TRYPTOPHANA1SOC0.73
DTRD-TRYPTOPHANA1YL80.73
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.73
DTRD-TRYPTOPHANA,B2Q330.73
DTRD-TRYPTOPHANA1DG00.73
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.73
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.72
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.72
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.76
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.76
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.76
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.76
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.85
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		2GC40.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,H,L,M2J550.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2Q7Q0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,G1JMZ0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E,G,I2H470.71
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		1MG20.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,D,F,H,J,L,
N,P		2GC70.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2OJY0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2IUP0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGX0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2HJ40.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2HKR0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGZ0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E,F2H3X0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,D,H2IUQ0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,G1JMX0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2HJB0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,C,H,L2MTA0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2OIZ0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,L,M3C750.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AH00.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,C1JJU0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,L,M1MDA0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2HKM0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGY0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		L,M2BBK0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		L2MAD0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGL0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E2IAA0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AH10.71
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.73
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.73
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.7
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.72
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.72
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.72
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
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.72
PD8PHOSPHORYLATED DIHYDROPTEROATEA1W780.73
BRFA1UUO0.72
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2I0T0.7
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		2J570.7
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2OK40.7
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2IUR0.7
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2AGW0.7
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		A,B,H,L,M2J560.7
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2IUV0.7
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2OK60.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.73
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.73
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.73
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.73
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUJ0.7
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.72
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.72
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.74
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.74
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE		A328D0.73
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.71
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.74
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.72
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.72
4PPC,L1XKA0.77
4PPA,B,C,D1XKB0.77
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.7
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.74
4IN4-AMINO-L-TRYPTOPHANA1OXF0.74
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.72
BMSA,B1DKF0.82
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.73
IOPINDOLYLPROPIONIC ACIDA2OLI0.73
IOPINDOLYLPROPIONIC ACIDA,B2AY50.73
QUI2-CARBOXYQUINOXALINEA1PFE0.7
QUI2-CARBOXYQUINOXALINEA,B2DA80.7
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.7
QUI2-CARBOXYQUINOXALINEA1VS20.7
QUI2-CARBOXYQUINOXALINEA1XVN0.7
QUI2-CARBOXYQUINOXALINEA,B185D0.7
QUI2-CARBOXYQUINOXALINEA1XVK0.7
QUI2-CARBOXYQUINOXALINEA,C1XVR0.7
QUI2-CARBOXYQUINOXALINEA,B3GO30.7
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE		A,B2NO30.73
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID		A1RWW0.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.77
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A1DL80.71
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.71
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid		A3BQR0.7
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.8
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.77
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.77
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.77
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.73
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A2JBO0.71
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A,B,C,D,E,F,
G,H,I,K,L		2JBP0.71
BLP(5-HYDROXY-6-METHYL-4-((2-(2-(2-
NITROBENZAMIDO)ACETYL)HYDRAZINYL)METHYL)PYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2GQN0.7
24XH,L2EC90.72
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.78
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER		A,B1M490.71
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.71
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.71
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.71
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.71
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.71
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.71
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.71
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.71
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.71
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.71
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.71
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.73
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.73
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE		A1KCI0.75
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.72
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.77
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.72
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.76
0AF7-hydroxy-L-tryptophanL1MAE0.7
0AF7-hydroxy-L-tryptophanL1MAF0.7
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.73
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.73
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID		A1RWN0.7
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.73
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.74
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.74
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMW0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3D1Y0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMY0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3CYX0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NNP0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		B1C6Z0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NNK0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A1FB70.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMZ0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3D1X0.7
TITN-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-
3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-
L-VALYL]AMINO}PENTANOYL)-L-ALANYL-
L-LEUCINAMIDE		A,B1W6H0.7
NTMQUINOLINIC ACIDA3C2O0.78
NTMQUINOLINIC ACIDA,B1QAP0.78
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.78
NTMQUINOLINIC ACIDA,B,C2B7N0.78
PVBPURVALANOLA1CKP0.7
PVBPURVALANOLA,B1V0P0.7
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.71
PT1PTEROIC ACIDA,B1TX00.76
PT1PTEROIC ACIDA1BR60.76
PT1PTEROIC ACIDA,B1HWP0.76
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.72
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.7
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.7
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.77
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.71
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.71
QNDQUINALDIC ACIDA,B1IDA0.78
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.73
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.82
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.73
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.71
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.75
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.7
3IL3-(INDOL-3-YL) LACTATEA2A7P0.74
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.79
ZY0N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-
4-ETHYL-8-(2-OXO-2,3-DIHYDRO-1H-
PYRROL-1-YL)QUINOLINE-6-CARBOXAMIDE		A2WF00.74