Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02232887

Ligand	Ligand name	Chain	PDB	Tanimoto
IBP	IBUPROFEN	A	3FKX	0.73
IBP	IBUPROFEN	A,B	2BXG	0.73
IBP	IBUPROFEN	A,B	1EQG	0.73
IBP	IBUPROFEN	A,B,C	2WD9	0.73
IBP	IBUPROFEN	A	2PWS	0.73
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.75
HCI	HYDROCINNAMIC ACID	A	1TOI	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.75
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.75
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.74
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.72
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.74
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.74
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.74
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.73
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid	A	2RHW	0.71
VK3	MENADIONE	A	1TUV	0.83
VK3	MENADIONE	A,B	2QR2	0.83
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.78
OXE	ORTHO-XYLENE	A,B	3E0X	0.74
OXE	ORTHO-XYLENE	A	188L	0.74
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE	H	1JGU	0.7
PQN	PHYLLOQUINONE	A,B,C,F,I,J,K,L,M,X	1JB0	0.82
PQN	PHYLLOQUINONE	1,2,3,4,A,B,C,F,G,H,I,J,K,L	2O01	0.82
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.82
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.82
PQN	PHYLLOQUINONE	0,1,2,3,4,5,6,7,8,9,A,B,C,F,G,H,J,K,L,P,Q,R,U,V,W,Z	1QZV	0.82
1LP	TRANYLCYPROMINE	A,B	1OJB	0.8
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.76
HBX	benzaldehyde	A,B	3GDN	0.79
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-2,4,6-TRIENOIC ACID	A	1NQ7	0.71
PYL	PHENYLETHANE	C	1B07	0.76
PYL	PHENYLETHANE	A,B	2VRM	0.76
PYL	PHENYLETHANE	A	1NHB	0.76
MBN	TOLUENE	A,B	3D7O	0.73
MBN	TOLUENE	A,B	1R1X	0.73
MBN	TOLUENE	A,B	1JLX	0.73
MBN	TOLUENE	A,B,C,D	3D17	0.73
MBN	TOLUENE	A,B	2VRL	0.73
MBN	TOLUENE	A,I	2Z3E	0.73
MBN	TOLUENE	A,B	1YZI	0.73
MBN	TOLUENE	A,B	2DN1	0.73
MBN	TOLUENE	A,B	3EN1	0.73
I4B	ISOBUTYLBENZENE	A	184L	0.74
AC0	1-PHENYLETHANONE	A	1ZK1	0.92
AC0	1-PHENYLETHANONE	A	1ZK4	0.92
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.74
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.7
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.81
N4B	N-BUTYLBENZENE	A	186L	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.74
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.73
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.74
3PL	3-PHENYLPROPANAL	E	1Y3G	0.83
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.78
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.82
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.7
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.76
PXY	PARA-XYLENE	A	187L	0.76
PXY	PARA-XYLENE	A	225L	0.76
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.73
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID	A,B	2GH5	0.74
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one	A,B	3DEA	0.7
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.82
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.82
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID	A,B,C,D	2DSA	0.74
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.73
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.73
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F,G,H	2O78	0.73
TRZ	TRAZEOLIDE	A	1C12	0.7
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.8
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.8
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.8
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID	A	2PUJ	0.74
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.82
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.82
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.82
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.82
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.82
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.82
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.82
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.82
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.74
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.73
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid	A	2RHT	0.72
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.7
FPR	PROPYLBENZENE	C	1RHK	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.71
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.76
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.86
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.86
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.82
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.82
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.82
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.82
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.83
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.93
PAC	2-PHENYLACETIC ACID	B	1PNL	0.72
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.72
PAC	2-PHENYLACETIC ACID	B	1FXH	0.72
PAC	2-PHENYLACETIC ACID	A	2ISF	0.72
PAC	2-PHENYLACETIC ACID	A	2INE	0.72