Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01742567

Ligand	Ligand name	Chain	PDB	Tanimoto
DBO	N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-10-CARBOXAMIDE	A,B,C,D	2EWY	0.73
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.7
183	1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE	A,B,C,D,E,F	1U1F	0.71
CNE	(3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID	A	1RHR	0.72
SHP	(4-HYDROXYMALTOSEPHENYL)GLYCINE	A	1DSR	0.71
HQQ	5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE	A,B,C	1G4K	0.73
B8L	3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE	A	1REK	0.7
5RM	(5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one	A,B	1XM6	0.72
C39	N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE	C,O	2V12	0.78
0EZ	tert-butyl [(1S,2S)-1-benzyl-2-hydroxy-3-{[(8S,11R)-8-[(1R)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]carbamate	A,B	1MTR	0.78
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	X	1Y0X	0.73
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	A	1HK1	0.73
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	C,D	1ICT	0.73
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	A	2RIW	0.73
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	A,B	2ROX	0.73
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	A,B	1IE4	0.73
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	1,2	1ETB	0.73
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	1,2	1ETA	0.73
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	A,B,C	1SN0	0.73
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	A,B	2CEO	0.73
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	A,B	1F86	0.73
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	A	1HK4	0.73
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	A	1HK2	0.73
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	A	1HK5	0.73
T44	3,5,3',5'-TETRAIODO-L-THYRONINE	A	1HK3	0.73
HTA	N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE	A	1FBL	0.79
TYS	O-SULFO-L-TYROSINE	H,I	1O2G	0.7
TYS	O-SULFO-L-TYROSINE	I,J	1AY6	0.7
TYS	O-SULFO-L-TYROSINE	B,I	1QHR	0.7
TYS	O-SULFO-L-TYROSINE	B,C	1TWX	0.7
TYS	O-SULFO-L-TYROSINE	B,D	2K03	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1YPK	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1SB1	0.7
TYS	O-SULFO-L-TYROSINE	A,B	1ZGV	0.7
TYS	O-SULFO-L-TYROSINE	B,I	2C8Y	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZGB	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZC9	0.7
TYS	O-SULFO-L-TYROSINE	D,H	2JH6	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZDV	0.7
TYS	O-SULFO-L-TYROSINE	I	1VR1	0.7
TYS	O-SULFO-L-TYROSINE	A,B,I	1DOJ	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2BVR	0.7
TYS	O-SULFO-L-TYROSINE	H,I,L	1GHY	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1T4V	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1TOM	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1YPE	0.7
TYS	O-SULFO-L-TYROSINE	B,I	1WAY	0.7
TYS	O-SULFO-L-TYROSINE	2,3	1C4Y	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZHF	0.7
TYS	O-SULFO-L-TYROSINE	B,I	2C8Z	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1A5G	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1YPL	0.7
TYS	O-SULFO-L-TYROSINE	A,B,C,D,E,F,H	2QAD	0.7
TYS	O-SULFO-L-TYROSINE	H,I,R	1B5G	0.7
TYS	O-SULFO-L-TYROSINE	B,C	1MU8	0.7
TYS	O-SULFO-L-TYROSINE	A,B	1GWB	0.7
TYS	O-SULFO-L-TYROSINE	B,I	2C90	0.7
TYS	O-SULFO-L-TYROSINE	B,I	1WBG	0.7
TYS	O-SULFO-L-TYROSINE	B,I	2C93	0.7
TYS	O-SULFO-L-TYROSINE	B,C	1G30	0.7
TYS	O-SULFO-L-TYROSINE	B,H	2UUK	0.7
TYS	O-SULFO-L-TYROSINE	H,I	3EGK	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1C5N	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1A61	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1C5L	0.7
TYS	O-SULFO-L-TYROSINE	A,H	1XM1	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1A2C	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2BVX	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZFF	0.7
TYS	O-SULFO-L-TYROSINE	H,I	3BIU	0.7
TYS	O-SULFO-L-TYROSINE	B,H	1D3P	0.7
TYS	O-SULFO-L-TYROSINE	B,H	1D3Q	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZFP	0.7
TYS	O-SULFO-L-TYROSINE	B,C,D	1BA8	0.7
TYS	O-SULFO-L-TYROSINE	A,I	1D6W	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZF0	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZGX	0.7
TYS	O-SULFO-L-TYROSINE	B,G	1OOK	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1AE8	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZFR	0.7
TYS	O-SULFO-L-TYROSINE	A,H	1NT1	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZFQ	0.7
TYS	O-SULFO-L-TYROSINE	E,I	1HAG	0.7
TYS	O-SULFO-L-TYROSINE	B,I	2C8X	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2BXT	0.7
TYS	O-SULFO-L-TYROSINE	D,H	2GDE	0.7
TYS	O-SULFO-L-TYROSINE	H,I,R	1TBZ	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1BCU	0.7
TYS	O-SULFO-L-TYROSINE	B,C	1KTS	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2BXU	0.7
TYS	O-SULFO-L-TYROSINE	B,I	1QJ7	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1K22	0.7
TYS	O-SULFO-L-TYROSINE	I,T	1TMB	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1AHT	0.7
TYS	O-SULFO-L-TYROSINE	I	1HGT	0.7
TYS	O-SULFO-L-TYROSINE	B,I	1QJ1	0.7
TYS	O-SULFO-L-TYROSINE	A,B	1TA6	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1AFE	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1AIX	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZG0	0.7
TYS	O-SULFO-L-TYROSINE	C,D	2PKS	0.7
TYS	O-SULFO-L-TYROSINE	B,C	1MUE	0.7
TYS	O-SULFO-L-TYROSINE	D,H	2JH5	0.7
TYS	O-SULFO-L-TYROSINE	B,D	2K05	0.7
TYS	O-SULFO-L-TYROSINE	B,C	1MU6	0.7
TYS	O-SULFO-L-TYROSINE	A,B,C,D	1G1S	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1HAH	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZI2	0.7
TYS	O-SULFO-L-TYROSINE	H,I	3BIV	0.7
TYS	O-SULFO-L-TYROSINE	2,3	1C4U	0.7
TYS	O-SULFO-L-TYROSINE	A,B	1NM6	0.7
TYS	O-SULFO-L-TYROSINE	A,B	3C1K	0.7
TYS	O-SULFO-L-TYROSINE	A,I	1D9I	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1YPG	0.7
TYS	O-SULFO-L-TYROSINE	B,H	1D4P	0.7
TYS	O-SULFO-L-TYROSINE	H,I,J	1TMU	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1YPM	0.7
TYS	O-SULFO-L-TYROSINE	B,C	1BB0	0.7
TYS	O-SULFO-L-TYROSINE	A,C	1P8V	0.7
TYS	O-SULFO-L-TYROSINE	B,H	2UUF	0.7
TYS	O-SULFO-L-TYROSINE	B,C	1G32	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1YPJ	0.7
TYS	O-SULFO-L-TYROSINE	B,I	2C8W	0.7
TYS	O-SULFO-L-TYROSINE	I,K	1H8D	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1GJ4	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1O5G	0.7
TYS	O-SULFO-L-TYROSINE	A	2RLL	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1AD8	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1C1U	0.7
TYS	O-SULFO-L-TYROSINE	H,I,L	1GHX	0.7
TYS	O-SULFO-L-TYROSINE	A,B	1ZRB	0.7
TYS	O-SULFO-L-TYROSINE	A,B	2BDY	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZHE	0.7
TYS	O-SULFO-L-TYROSINE	D,H	2JH0	0.7
TYS	O-SULFO-L-TYROSINE	A,B	1TA2	0.7
TYS	O-SULFO-L-TYROSINE	B,H	2UUJ	0.7
TYS	O-SULFO-L-TYROSINE	A,H	1JMO	0.7
TYS	O-SULFO-L-TYROSINE	A,B	1SL3	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZHQ	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZO3	0.7
TYS	O-SULFO-L-TYROSINE	2,3,4	8KME	0.7
TYS	O-SULFO-L-TYROSINE	H,I,L	1C1W	0.7
TYS	O-SULFO-L-TYROSINE	B,I	1QJ6	0.7
TYS	O-SULFO-L-TYROSINE	A,B	1Z71	0.7
TYS	O-SULFO-L-TYROSINE	A,B	1ZGI	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1C5O	0.7
TYS	O-SULFO-L-TYROSINE	I,T	3HAT	0.7
TYS	O-SULFO-L-TYROSINE	H,I	3DUX	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1C1V	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZNK	0.7
TYS	O-SULFO-L-TYROSINE	H,I	3D49	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1GJ5	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1UMA	0.7
TYS	O-SULFO-L-TYROSINE	H,I	3DT0	0.7
TYS	O-SULFO-L-TYROSINE	E,H	1QBV	0.7
TYS	O-SULFO-L-TYROSINE	I,K	1H8I	0.7
TYS	O-SULFO-L-TYROSINE	A,C,D	1RZG	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1AI8	0.7
TYS	O-SULFO-L-TYROSINE	H,I,J	7KME	0.7
TYS	O-SULFO-L-TYROSINE	H,I,L	2PW8	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1A4W	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1GHV	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1NO9	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1AWF	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1K21	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1T4U	0.7
TYS	O-SULFO-L-TYROSINE	B,H	1D3D	0.7
TYS	O-SULFO-L-TYROSINE	B,H	1D3T	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1A46	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZDA	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZHW	0.7
TYS	O-SULFO-L-TYROSINE	B	2K3U	0.7
TYS	O-SULFO-L-TYROSINE	H,I	3DHK	0.7
TYS	O-SULFO-L-TYROSINE	B,C	1KTT	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2BVS	0.7
TYS	O-SULFO-L-TYROSINE	3	1NY2	0.7
TYS	O-SULFO-L-TYROSINE	B,C	1CA8	0.7
TYS	O-SULFO-L-TYROSINE	H,I	1GHW	0.7
TYS	O-SULFO-L-TYROSINE	2,3	1C4V	0.7
TYS	O-SULFO-L-TYROSINE	H,I	2ZIQ	0.7
MUV	N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-N'-METHYLSUCCINAMIDE	A,B	2PSV	0.71
DTY	D-TYROSINE	A	1C4B	0.71
DTY	D-TYROSINE	A,L	1ZEA	0.71
DTY	D-TYROSINE	A,B,C,D,E,F,G,H	1OF6	0.71
DTY	D-TYROSINE	A,B	1UNO	0.71
DTY	D-TYROSINE	A	2IGZ	0.71
DTY	D-TYROSINE	A,B,C,H,K,L	2R5D	0.71
DTY	D-TYROSINE	A,B	2Q33	0.71
DTY	D-TYROSINE	H,S	2H9E	0.71
DTY	D-TYROSINE	A,B,C,H,K,L	2R5B	0.71
DTY	D-TYROSINE	A	2IH0	0.71
DTY	D-TYROSINE	A	1D7T	0.71
DTY	D-TYROSINE	A,B	1XA0	0.71
L01	3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE	A	1W51	0.72
864	(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID	A,B,C	2PJ2	0.71
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.77
TAX	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM	A	1FJ5	0.71
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.73
4BQ	(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid	A	3CHQ	0.7
CIO	CILOMILAST	A,B	1XOM	0.75
CIO	CILOMILAST	A,B	1XLX	0.75
K55	(2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid	A,B	2ZNP	0.78
PI7	N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE	A,B	1B6P	0.77
AGG	TIROFIBAN	A,B	2VDM	0.78
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.73
RQ3	2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID	A,B,C,D	1G9V	0.71
941	2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID	A	1PYN	0.71
ZYA	BENZOYL-TYROSINE-ALANINE-METHYL KETONE	A	1AIM	0.75
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.71
C27	(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one	A	2VA7	0.7
0E4	N-acetyl-L-tyrosyl-L-valyl-L-alanyl-L-aspartic acid	B,D	3GJS	0.73
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.71
BYS	2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID	A,B	1JJE	0.7
BX3	(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID	A	1MTV	0.71
BX3	(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID	A	1MTU	0.71
BX3	(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID	A	1MTS	0.71
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID	A	2HBY	0.72
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID	A	2H4Y	0.72
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID	A	2HBR	0.72
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID	A	2H4W	0.72
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID	A	2H48	0.72
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID	A	2H54	0.72
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID	A	2H51	0.72
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID	A	2HBZ	0.72
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID	A	2HBQ	0.72
IYG	N-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINE	A	1OPM	0.7
3XH	3-Hydroxyhippuric acid	A	3E9K	0.7
CMQ	N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-L-LEUCINAMIDE	A,B,C,D,E,F,G,H,I,J,K,L,M,N	2FZS	0.74
NHN		A,C	2GVF	0.7
AB8	(1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE	A,B	1XDG	0.72
LK1	N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-L-GLUTAMIC ACID	A	2JFH	0.71
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.71
4SR	(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE	A,B	1XN0	0.81
MFN	N-[4,5,7-TRICARBOXYHEPTANOYL]-L-GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-3-FURYL}METHOXY)PHENYL]ETHYL}-D-GLUTAMINE	A,B,C,D	2FHK	0.73
MFN	N-[4,5,7-TRICARBOXYHEPTANOYL]-L-GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-3-FURYL}METHOXY)PHENYL]ETHYL}-D-GLUTAMINE	A,B,C,D	2FHJ	0.73
ODE	DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE	A,B	2QH6	0.71
MUU	N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE	A,B	2PSU	0.71
DEO		A,B	1ROS	0.77
PI1		A,B	1B6J	0.78
PI5	N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE	A,B	1B6K	0.76
SFX	(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine	A	3GWW	0.74
PFI	(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE	A	2HAI	0.72
PI4	1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE	A,B	1B6L	0.79
886	N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-D-valine	A,B,C,D	2RJP	0.71
INX	2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACID	A	1G7G	0.76
RFX	(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine	A	3GWV	0.74
ROL	ROLIPRAM	A,B,C,D	1OYN	0.81
ROL	ROLIPRAM	A,B	1XMY	0.81
ROL	ROLIPRAM	A,B,C,D	1Q9M	0.81
ROL	ROLIPRAM	A,B	1RO6	0.81
ROL	ROLIPRAM	A,B	1XN0	0.81
ROL	ROLIPRAM	A,B	1TBB	0.81
PI8	N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE	A,B	1D4K	0.75
ABY	N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE	A,B	1PL2	0.73
ABY	N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE	A,B	1PL1	0.73
AI1	N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE	D,E,F,G,H,L,M,N,O,P	1FD7	0.72
DRS	(9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid	A,B	3BXS	0.83
LK2	N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-D-GLUTAMIC ACID	A	2JFF	0.71
4BO	(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid	A	3CHP	0.72
2TN	2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE	A	2OTF	0.81
2TN	2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE	A	2NUV	0.81
2TN	2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE	A	2OUB	0.81
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A,B	1I7I	0.71
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A	1I7G	0.71
HA2	6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-6-OXOHEXANOIC ACID)	A	2VJ8	0.8
ADF	4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID	A	2G5P	0.73
HBB	N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE	A,B	1Z1H	0.73
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.74
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.74
BBB	1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-2,4(1H,3H)-DIONE	A,B,C,D,E,F	1U1G	0.73
PTC	2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID	C,D	1IS0	0.8
INZ	2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID	A	1G7F	0.75
S44	(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid	A	2ZNN	0.75
S44	(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid	A,B	2ZNO	0.75
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.75
TF3	N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE	A	2BU7	0.76
296	(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid	A,B	2RJS	0.73
C1N	N-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-[3-FLUORO-1-(4-HYDROXYBENZYL)-2-OXOPROPYL]LEUCINAMIDE	A	1ZCM	0.74
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.74
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.74
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.74
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A	1NY0	0.77
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A,B	1YMS	0.77
T4A		C,D	1KGI	0.7
T4A		A,B	1Z7J	0.7
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.73
ANM	ANISOMYCIN	1,2,4,A,B,C,D,E,J,K,L,M,N,O,P,R,S,T,U,V,Z	1K73	0.78
ANM	ANISOMYCIN	0,1,3,9,A,B,C,F,H,J,K,L,M,N,O,Q,R,S,T,U,Y,Z	3CC4	0.78
TDZ	(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE	A,B	2QM9	0.71
TDZ	(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE	A	2VN0	0.71
IN3	1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE	A	1AYW	0.7
167	6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID	B,I	1QJ6	0.74
PEM	2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID	A,B	1IWH	0.72
IYT	N-ALPHA-ACETYL-3,5-DIIODOTYROSYL-D-THREONINE	A	1SDW	0.71
MZ9	N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE	A,B	2QI7	0.73
TMS	N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-PHENYL)-VINYL]-BENZAMIDE	A,B	1X6W	0.7
493	{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENOXY}-ACETIC ACID	A	1O49	0.71
DCH	3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER	H	1UVU	0.75
C40	N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE	A	2V13	0.77
C61	(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-2,8-DIMETHYLNONANAMIDE	C,O	2V10	0.83
CA2	(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID	A,B,C,D,E,F,G,H,I,J,K,L	2BT4	0.72
HV8	BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE	C	1A8G	0.76
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	3HF0	0.71
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	2OXK	0.71
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A,B,C	2OXJ	0.71
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.72
MTJ	N,O-DIMETHYL-L-TYROSINE	A,B	1ATL	0.81
MR0	N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE	A,B,C	2P83	0.7
TVN	N-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-valyl-L-aspartamide	A	3C7I	0.7
1C5	[[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINE	A	1BKM	0.7
CS5	N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE	A,B	2QK5	0.71
MUS	4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-NON-2-ULOPYRANOSIDONIC ACID	A	1S0J	0.71
YBY	N-{[(1S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-L-glutamic acid	A	3D7F	0.7
MBS		A,B	1HY7	0.7
FLT	FLUOROMALONYL TYROSINE	I	1BZH	0.74
Y12	4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE	A	2EW5	0.74
T33	3,3'-DEIODO-THYROXINE	A,B	1THA	0.74
LK3	N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-D-GLUTAMIC ACID	A	2UUO	0.71
YVN	N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide	A,B	2HUW	0.7
WRR	4-HYDROXY-3-[(1S,3R)-3-HYDROXY-1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1H9Z	0.71
HXP	3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID	A	1XAN	0.7
DRR		A,B	3BXR	0.76
C41	ALISKIREN	C,O	2V0Z	0.82
401	(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid	A,B	2ZNQ	0.75
BHP	(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID	A,B	1J1A	0.85
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.73
PH9	(2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID	A	1Z4U	0.72
HBH	2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE	A,B	1Z1R	0.73
KI2	3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID	A,B,I,J	1NH0	0.7
KI2	3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID	I	1U8G	0.7
PI6	[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL] -CARBAMIC ACID TERT-BUTYL ESTER	A,B	1B6M	0.78
CJO	[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid	A	2QT2	0.71
ZHH	2-(4-METHOXYPHENYL)ETHANAMINE	D,H	2HKR	0.7
MAX	MATAIRESINOL	A	2BGM	0.73
OBE	3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID	H	1RIV	0.72
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.72
WRS	4-HYDROXY-3-[(1S,3S)-3-HYDROXY-1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1HA2	0.71
NLT	N-DODECANOYL-L-TYROSINE	A,B,C,D,E,F,G,H	2G0B	0.75
CZO	[(2R,4S)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid	A	2QRF	0.7