MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02316491

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
BFL		A,B	1Q4G	0.76
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.73
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.77
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.73
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.72
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.72
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	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.74
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	0.74
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	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.74
PAC	2-PHENYLACETIC ACID	B	1PNL	0.76
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.76
PAC	2-PHENYLACETIC ACID	B	1FXH	0.76
PAC	2-PHENYLACETIC ACID	A	2ISF	0.76
PAC	2-PHENYLACETIC ACID	A	2INE	0.76
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.74
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.77
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	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
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.78
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.79
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.79
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.79
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.74
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.78
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.78
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.78
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.7
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A	2NNV	0.75
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A,B	2NN7	0.75
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.79
FLP	FLURBIPROFEN	A,B	1CQE	0.79
FLP	FLURBIPROFEN	A,B	1EQH	0.79
FLP	FLURBIPROFEN	A,B	2AYL	0.79
FLP	FLURBIPROFEN	A	1DVT	0.79
FLP	FLURBIPROFEN	A	1R9O	0.79
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.77
3PL	3-PHENYLPROPANAL	E	1Y3G	0.72
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.75
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	I	1EPL	0.7
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	A,B,C,D	2IFW	0.7
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	E,I	1EPM	0.7
791	2-PHENYLMALONIC ACID	A	1O4P	0.83
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.7
0A9	methyl L-phenylalaninate	A	1AY2	0.71
0A9	methyl L-phenylalaninate	I	5ER1	0.71
0A9	methyl L-phenylalaninate	I,P	1HDT	0.71
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.82
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.8
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.8
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
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.76
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
1LP	TRANYLCYPROMINE	A,B	1OJB	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.82
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.79
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.79
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.79
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.79
HCI	HYDROCINNAMIC ACID	A	1TOI	0.79
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.79
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.79
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
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.79