MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022492

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
1LP	TRANYLCYPROMINE	A,B	1OJB	0.81
PXY	PARA-XYLENE	A	187L	0.7
PXY	PARA-XYLENE	A	225L	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.74
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.71
FPR	PROPYLBENZENE	C	1RHK	0.73
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.84
HBX	benzaldehyde	A,B	3GDN	0.83
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.75
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.86
3PL	3-PHENYLPROPANAL	E	1Y3G	0.79
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.71
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
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.84
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.84
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.84
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.84
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.84
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.84
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.84
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.84
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.84
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.84
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.84
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
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.73
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.8
BHO	BENZHYDROXAMIC ACID	A,B	1GX2	0.7
BHO	BENZHYDROXAMIC ACID	A	1HSR	0.7
BHO	BENZHYDROXAMIC ACID	A,B	2ATJ	0.7
BHO	BENZHYDROXAMIC ACID	A,B	4ATJ	0.7
BHO	BENZHYDROXAMIC ACID	A,B	3ATJ	0.7
BHO	BENZHYDROXAMIC ACID	A	3GCK	0.7
BHO	BENZHYDROXAMIC ACID	A,B,C,D,E,F, G,H	2BOY	0.7
IBP	IBUPROFEN	A	3FKX	0.7
IBP	IBUPROFEN	A,B	2BXG	0.7
IBP	IBUPROFEN	A,B	1EQG	0.7
IBP	IBUPROFEN	A,B,C	2WD9	0.7
IBP	IBUPROFEN	A	2PWS	0.7
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.73
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.84
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.84
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.84
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.84
AC0	1-PHENYLETHANONE	A	1ZK1	0.96
AC0	1-PHENYLETHANONE	A	1ZK4	0.96
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.74
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
I4B	ISOBUTYLBENZENE	A	184L	0.73
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.83
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.83
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.83
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.84
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.92
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.92
PYL	PHENYLETHANE	C	1B07	0.73
PYL	PHENYLETHANE	A,B	2VRM	0.73
PYL	PHENYLETHANE	A	1NHB	0.73
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.75
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.95
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.73
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.75
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.71
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.77
N4B	N-BUTYLBENZENE	A	186L	0.73
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.84
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.84
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.84
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.84
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	0.84
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.76
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.81
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.81
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.81
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.81
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.81
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.78
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.71
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.71
VK3	MENADIONE	A	1TUV	0.86
VK3	MENADIONE	A,B	2QR2	0.86
OXE	ORTHO-XYLENE	A,B	3E0X	0.71
OXE	ORTHO-XYLENE	A	188L	0.71
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.83
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.78
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDL	0.71
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDK	0.71
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.74
TRZ	TRAZEOLIDE	A	1C12	0.73
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