MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00014380

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
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.71
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.71
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.73
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	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	0.7
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	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	0.72
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.7
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	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	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.8
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.8
PAC	2-PHENYLACETIC ACID	B	1PNL	0.8
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.8
PAC	2-PHENYLACETIC ACID	B	1FXH	0.8
PAC	2-PHENYLACETIC ACID	A	2ISF	0.8
PAC	2-PHENYLACETIC ACID	A	2INE	0.8
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.78
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.71
791	2-PHENYLMALONIC ACID	A	1O4P	0.78
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.72
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.77
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.75
TRZ	TRAZEOLIDE	A	1C12	0.71
PHT	PHTHALIC ACID	A,B,C	2B7P	0.71
PHT	PHTHALIC ACID	A	3C2V	0.71
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.71
PHT	PHTHALIC ACID	A,B	3C2R	0.71
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.77
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.86
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	0.75
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	0.75
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.75
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A	2NNV	0.71
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A,B	2NN7	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.73
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.73
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.71
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.71
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
SMN	(S)-MANDELIC ACID	A	1MDL	0.73
BFL		A,B	1Q4G	0.83
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.77
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.77
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.77
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.77
HCI	HYDROCINNAMIC ACID	A	1TOI	0.77
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.77
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.77
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
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
3PL	3-PHENYLPROPANAL	E	1Y3G	0.7
26C		A,B	2F7I	0.73
1LP	TRANYLCYPROMINE	A,B	1OJB	0.72
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.85
RMN	(R)-MANDELIC ACID	A	1MDL	0.73
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.73
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.78
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.81
FLP	FLURBIPROFEN	A,B	1CQE	0.81
FLP	FLURBIPROFEN	A,B	1EQH	0.81
FLP	FLURBIPROFEN	A,B	2AYL	0.81
FLP	FLURBIPROFEN	A	1DVT	0.81
FLP	FLURBIPROFEN	A	1R9O	0.81
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.81
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.81
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.81
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ6	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQP	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z	1VQN	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.76
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.71
4FC		A	1YSG	0.74
FBC		A,B	2B9A	0.73
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.73
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.79
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.75
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.75
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.71
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.71
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.71
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.71
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.71
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.76
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.76
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.76
IBP	IBUPROFEN	A	3FKX	0.79
IBP	IBUPROFEN	A,B	2BXG	0.79
IBP	IBUPROFEN	A,B	1EQG	0.79
IBP	IBUPROFEN	A,B,C	2WD9	0.79
IBP	IBUPROFEN	A	2PWS	0.79
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	0.7
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.83
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.7
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.7
OX1		H,Y	1LO2	0.7