MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01724846

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
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.77
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.77
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.71
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.8
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
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.75
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	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	0.73
IBP	IBUPROFEN	A	3FKX	0.75
IBP	IBUPROFEN	A,B	2BXG	0.75
IBP	IBUPROFEN	A,B	1EQG	0.75
IBP	IBUPROFEN	A,B,C	2WD9	0.75
IBP	IBUPROFEN	A	2PWS	0.75
FCL	3-CHLORO-L-PHENYLALANINE	E,F	1OKW	0.7
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.71
3BZ	3-chlorobenzoate	X	2QVZ	0.78
3BZ	3-chlorobenzoate	X	2QVX	0.78
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
791	2-PHENYLMALONIC ACID	A	1O4P	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.73
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
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.72
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.76
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.71
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.71
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.71
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.71
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	0.71
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.71
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.74
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.72
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.72
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.72
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFK	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFQ	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1Z9Y	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZH9	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGE	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGF	0.7
3CA		A,B	2B77	0.73
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.79
TRZ	TRAZEOLIDE	A	1C12	0.8
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.71
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.73
FLP	FLURBIPROFEN	A,B	1CQE	0.73
FLP	FLURBIPROFEN	A,B	1EQH	0.73
FLP	FLURBIPROFEN	A,B	2AYL	0.73
FLP	FLURBIPROFEN	A	1DVT	0.73
FLP	FLURBIPROFEN	A	1R9O	0.73
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
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.71
34Z	3,4-dichlorobenzoate	X	2QVY	0.75
34Z	3,4-dichlorobenzoate	X	2QW0	0.75
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.72
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.72
26C		A,B	2F7I	0.74
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.77
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.77
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.77
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.75
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.72
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.72
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.71
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.71
HCI	HYDROCINNAMIC ACID	A	1TOI	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.71
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.71
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.92
BFL		A,B	1Q4G	0.75
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.71
FBC		A,B	2B9A	0.74
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.72
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.72
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.72
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.72
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.72
4FC		A	1YSG	0.75
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.78
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.78