MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02862880

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
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.73
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
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.84
HBX	benzaldehyde	A,B	3GDN	0.83
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.72
4FC		A	1YSG	0.71
3PL	3-PHENYLPROPANAL	E	1Y3G	0.79
1LP	TRANYLCYPROMINE	A,B	1OJB	0.79
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.71
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
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.71
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.71
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.73
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.84
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.7
PYL	PHENYLETHANE	C	1B07	0.71
PYL	PHENYLETHANE	A,B	2VRM	0.71
PYL	PHENYLETHANE	A	1NHB	0.71
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
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.73
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.7
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.84
N4B	N-BUTYLBENZENE	A	186L	0.71
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
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.77
AC0	1-PHENYLETHANONE	A	1ZK1	0.93
AC0	1-PHENYLETHANONE	A	1ZK4	0.93
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.78
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
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
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.72
FBC		A,B	2B9A	0.7
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.78
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.75
I4B	ISOBUTYLBENZENE	A	184L	0.71
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.77
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.72
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.72
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.72
VK3	MENADIONE	A	1TUV	0.84
VK3	MENADIONE	A,B	2QR2	0.84
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
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
26C		A,B	2F7I	0.7
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.78
BHO	BENZHYDROXAMIC ACID	A,B	1GX2	0.71
BHO	BENZHYDROXAMIC ACID	A	1HSR	0.71
BHO	BENZHYDROXAMIC ACID	A,B	2ATJ	0.71
BHO	BENZHYDROXAMIC ACID	A,B	4ATJ	0.71
BHO	BENZHYDROXAMIC ACID	A,B	3ATJ	0.71
BHO	BENZHYDROXAMIC ACID	A	3GCK	0.71
BHO	BENZHYDROXAMIC ACID	A,B,C,D,E,F, G,H	2BOY	0.71
IBP	IBUPROFEN	A	3FKX	0.71
IBP	IBUPROFEN	A,B	2BXG	0.71
IBP	IBUPROFEN	A,B	1EQG	0.71
IBP	IBUPROFEN	A,B,C	2WD9	0.71
IBP	IBUPROFEN	A	2PWS	0.71
FPR	PROPYLBENZENE	C	1RHK	0.71
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
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.81
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.81
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.81
PAC	2-PHENYLACETIC ACID	B	1PNL	0.72
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.72
PAC	2-PHENYLACETIC ACID	B	1FXH	0.72
PAC	2-PHENYLACETIC ACID	A	2ISF	0.72
PAC	2-PHENYLACETIC ACID	A	2INE	0.72