MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02384926

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
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	0.72
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.72
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.72
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.76
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.76
PMA	PYROMELLITIC ACID	A,B	1FUP	0.7
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.73
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.72
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.72
4FC		A	1YSG	0.71
1NH	(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE	B	1O1S	0.7
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.81
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.84
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.7
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.73
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.73
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.73
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.73
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.71
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.7
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.7
TRZ	TRAZEOLIDE	A	1C12	0.8
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.74
IBP	IBUPROFEN	A	3FKX	0.72
IBP	IBUPROFEN	A,B	2BXG	0.72
IBP	IBUPROFEN	A,B	1EQG	0.72
IBP	IBUPROFEN	A,B,C	2WD9	0.72
IBP	IBUPROFEN	A	2PWS	0.72
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.73
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.73
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.73
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.73
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.73
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.73
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.73
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.73
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.73
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.73
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.73
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.71
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.75
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.78
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.72
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.76
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.76
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.73
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.71
FBC		A,B	2B9A	0.7
E04	3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN- 17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN	A	1ZQ5	0.78
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.71
FLP	FLURBIPROFEN	A,B	1CQE	0.71
FLP	FLURBIPROFEN	A,B	1EQH	0.71
FLP	FLURBIPROFEN	A,B	2AYL	0.71
FLP	FLURBIPROFEN	A	1DVT	0.71
FLP	FLURBIPROFEN	A	1R9O	0.71
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.7
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A	1MVC	0.8
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A,C,E,G	1MZN	0.8
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.76
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.79
BFL		A,B	1Q4G	0.72
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.72
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.81
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.72
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.82
L79	(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID	A,D	1RDT	0.75
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.72
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.71
26C		A,B	2F7I	0.7
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.73
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.73
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.73
2E3	(2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid	A	3FUG	0.7
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.73
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.7
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.7
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.75
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.75
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.75
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.75
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	0.75
VK3	MENADIONE	A	1TUV	0.72
VK3	MENADIONE	A,B	2QR2	0.72
OX1		H,Y	1LO2	0.7