MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02361053

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
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.71
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
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.74
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.76
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.75
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.8
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.8
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
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.72
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.75
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.75
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.75
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.75
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
AC0	1-PHENYLETHANONE	A	1ZK1	0.85
AC0	1-PHENYLETHANONE	A	1ZK4	0.85
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
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.79
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.75
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
VK3	MENADIONE	A	1TUV	0.79
VK3	MENADIONE	A,B	2QR2	0.79
BVA	TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE	B,C	2P8O	0.74
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.82
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
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.75
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.75
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.75
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.75
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.75
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.75
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.75
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.75
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.72
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.72
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.7
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.73
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.71
HBX	benzaldehyde	A,B	3GDN	0.74
3PL	3-PHENYLPROPANAL	E	1Y3G	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.71
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.76
1LP	TRANYLCYPROMINE	A,B	1OJB	0.7
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.79
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.74
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.71
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.76
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.77
BHO	BENZHYDROXAMIC ACID	A,B	1GX2	0.76
BHO	BENZHYDROXAMIC ACID	A	1HSR	0.76
BHO	BENZHYDROXAMIC ACID	A,B	2ATJ	0.76
BHO	BENZHYDROXAMIC ACID	A,B	4ATJ	0.76
BHO	BENZHYDROXAMIC ACID	A,B	3ATJ	0.76
BHO	BENZHYDROXAMIC ACID	A	3GCK	0.76
BHO	BENZHYDROXAMIC ACID	A,B,C,D,E,F, G,H	2BOY	0.76
23F	(2Z)-2-AMINO-3-PHENYLACRYLIC ACID	A	1VRZ	0.73
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
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.72
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.72
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.72
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.72
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.75
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.75
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.75
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.75
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	0.75