MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02348912

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
HBX	benzaldehyde	A,B	3GDN	0.82
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.83
I4B	ISOBUTYLBENZENE	A	184L	0.72
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.79
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.73
TRZ	TRAZEOLIDE	A	1C12	0.71
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.94
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.73
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
1LP	TRANYLCYPROMINE	A,B	1OJB	0.8
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.71
VK3	MENADIONE	A	1TUV	0.88
VK3	MENADIONE	A,B	2QR2	0.88
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.94
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.94
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.72
AC0	1-PHENYLETHANONE	A	1ZK1	0.92
AC0	1-PHENYLETHANONE	A	1ZK4	0.92
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.7
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.7
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.7
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
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.85
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.78
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.88
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.87
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.87
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.87
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.87
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.71
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.8
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.8
3PL	3-PHENYLPROPANAL	E	1Y3G	0.78
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.74
BFL		A,B	1Q4G	0.7
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.87
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.87
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.87
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.87
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.87
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.87
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.87
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.87
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.87
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.87
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.87
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.76
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.8
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.8
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.8
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.72
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.7
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.76
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.72
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
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.7
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.78
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.71
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.71
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.89
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.89
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.89
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.89
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	0.89
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.77
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.87
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.77