MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02626863

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
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
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.78
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.7
TRZ	TRAZEOLIDE	A	1C12	0.79
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
FBC		A,B	2B9A	0.71
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.72
4FC		A	1YSG	0.71
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.75
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.81
26C		A,B	2F7I	0.71
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.75
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.75
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.75
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.72
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.74
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.72
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	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	0.78
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	0.78
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.75
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.75
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.75
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.75
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.75
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.75
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.75
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.75
OX1		H,Y	1LO2	0.71
AC0	1-PHENYLETHANONE	A	1ZK1	0.71
AC0	1-PHENYLETHANONE	A	1ZK4	0.71
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.77
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.77
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.77
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.77
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	0.77
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.7
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	0.74
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
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.76
E04	3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN- 17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN	A	1ZQ5	0.77
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.72
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.71
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
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.73
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.76
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.72
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.72
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	0.71
VK3	MENADIONE	A	1TUV	0.74
VK3	MENADIONE	A,B	2QR2	0.74
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.77
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.73
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.73
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.72
BFL		A,B	1Q4G	0.73
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.83
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.72
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.72
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
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.7
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.81
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.72
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.73
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.8
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.71