MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00281528

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Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.7
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.7
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.7
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.7
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.72
FLP	FLURBIPROFEN	A,B	1CQE	0.72
FLP	FLURBIPROFEN	A,B	1EQH	0.72
FLP	FLURBIPROFEN	A,B	2AYL	0.72
FLP	FLURBIPROFEN	A	1DVT	0.72
FLP	FLURBIPROFEN	A	1R9O	0.72
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.81
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.72
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.71
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.74
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.74
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.74
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.74
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.74
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.8
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.88
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.88
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.88
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.88
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	0.88
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.72
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.71
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.74
1NH	(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE	B	1O1S	0.7
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.73
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.74
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.71
VK3	MENADIONE	A	1TUV	0.88
VK3	MENADIONE	A,B	2QR2	0.88
BDB		A,B	1KE3	0.72
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.77
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.77
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.77
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.8
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.73
HBX	benzaldehyde	A,B	3GDN	0.76
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.7
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.79
825	[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid	A	3CWE	0.72
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.75
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.88
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.86
4PI	N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE	A,B	2NSD	0.7
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.88
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.88
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.88
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.88
AC0	1-PHENYLETHANONE	A	1ZK1	0.88
AC0	1-PHENYLETHANONE	A	1ZK4	0.88
1LP	TRANYLCYPROMINE	A,B	1OJB	0.77
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.73
FBC		A,B	2B9A	0.72
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.74
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.88
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.88
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.88
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.88
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.88
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.88
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.88
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.88
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.88
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.88
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.88
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.76
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.72
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.72
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.72
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.72
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.74
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.73
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.73
3PL	3-PHENYLPROPANAL	E	1Y3G	0.73
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.91
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.91
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.72
IBP	IBUPROFEN	A	3FKX	0.71
IBP	IBUPROFEN	A,B	2BXG	0.71
IBP	IBUPROFEN	A,B	1EQG	0.71
IBP	IBUPROFEN	A,B,C	2WD9	0.71
IBP	IBUPROFEN	A	2PWS	0.71
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.7
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
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.89
BFL		A,B	1Q4G	0.75
4FC		A	1YSG	0.73
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.88
26C		A,B	2F7I	0.72
TRZ	TRAZEOLIDE	A	1C12	0.75
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.9
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.72
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.72
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.72