MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02233497

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	0.77
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.72
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.72
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
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.76
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.76
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.76
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	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	0.77
BFL		A,B	1Q4G	0.76
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
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.7
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.73
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.74
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.74
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.74
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.74
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.78
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.73
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.79
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.79
TRZ	TRAZEOLIDE	A	1C12	0.76
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.7
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.74
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.75
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.73
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.81
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.77
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
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
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.75
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.74
FLP	FLURBIPROFEN	A,B	1CQE	0.74
FLP	FLURBIPROFEN	A,B	1EQH	0.74
FLP	FLURBIPROFEN	A,B	2AYL	0.74
FLP	FLURBIPROFEN	A	1DVT	0.74
FLP	FLURBIPROFEN	A	1R9O	0.74
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.73
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.7
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.75
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
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.71
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.82
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.75
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.75
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.75
PHT	PHTHALIC ACID	A,B,C	2B7P	0.72
PHT	PHTHALIC ACID	A	3C2V	0.72
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.72
PHT	PHTHALIC ACID	A,B	3C2R	0.72
4FC		A	1YSG	0.72
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.72
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.75
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.71
VK3	MENADIONE	A	1TUV	0.73
VK3	MENADIONE	A,B	2QR2	0.73
PAC	2-PHENYLACETIC ACID	B	1PNL	0.73
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.73
PAC	2-PHENYLACETIC ACID	B	1FXH	0.73
PAC	2-PHENYLACETIC ACID	A	2ISF	0.73
PAC	2-PHENYLACETIC ACID	A	2INE	0.73
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.81
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.81
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.76
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.76
FBC		A,B	2B9A	0.72
791	2-PHENYLMALONIC ACID	A	1O4P	0.71
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.74
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.74
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.74
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.74
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.74
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.74
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.74
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.74
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.72
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.84
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.84
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.77
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.73
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.73
OX1		H,Y	1LO2	0.72
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.77
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.71
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.72
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.72
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.72
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.71
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.73
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.73
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.73
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.73
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	0.73
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.72
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.72
26C		A,B	2F7I	0.72
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.7