MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02548856

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
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.72
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.82
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.82
825	[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid	A	3CWE	0.73
1LP	TRANYLCYPROMINE	A,B	1OJB	0.76
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.74
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.81
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.81
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.81
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.81
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	0.81
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.73
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.78
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.81
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.75
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
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.73
AC0	1-PHENYLETHANONE	A	1ZK1	0.85
AC0	1-PHENYLETHANONE	A	1ZK4	0.85
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
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.76
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.79
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.72
VK3	MENADIONE	A	1TUV	0.81
VK3	MENADIONE	A,B	2QR2	0.81
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.79
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.72
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.72
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.72
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.72
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.72
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.79
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.72
HCI	HYDROCINNAMIC ACID	A	1TOI	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.72
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.72
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.72
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.72
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.86
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.73
26C		A,B	2F7I	0.75
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.81
HBX	benzaldehyde	A,B	3GDN	0.74
3PL	3-PHENYLPROPANAL	E	1Y3G	0.7
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.71
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.79
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.79
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.79
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.79
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.79
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.79
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.79
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.79
791	2-PHENYLMALONIC ACID	A	1O4P	0.71
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.76
FLP	FLURBIPROFEN	A,B	1CQE	0.76
FLP	FLURBIPROFEN	A,B	1EQH	0.76
FLP	FLURBIPROFEN	A,B	2AYL	0.76
FLP	FLURBIPROFEN	A	1DVT	0.76
FLP	FLURBIPROFEN	A	1R9O	0.76
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.79
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.79
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.79
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.79
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.76
4FC		A	1YSG	0.74
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.72
TRZ	TRAZEOLIDE	A	1C12	0.74
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.7
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.7
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.7
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.73
IBP	IBUPROFEN	A	3FKX	0.76
IBP	IBUPROFEN	A,B	2BXG	0.76
IBP	IBUPROFEN	A,B	1EQG	0.76
IBP	IBUPROFEN	A,B,C	2WD9	0.76
IBP	IBUPROFEN	A	2PWS	0.76
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.73
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.77
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
FBC		A,B	2B9A	0.75
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.76
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.7
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.7
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.7
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.71
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.71
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.71
BFL		A,B	1Q4G	0.74