MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02290998

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
FPR	PROPYLBENZENE	C	1RHK	0.73
HBX	benzaldehyde	A,B	3GDN	0.82
VK3	MENADIONE	A	1TUV	0.8
VK3	MENADIONE	A,B	2QR2	0.8
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.73
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.88
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.78
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.78
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.78
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.78
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.71
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.8
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.78
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
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.74
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.74
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.74
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.74
HCI	HYDROCINNAMIC ACID	A	1TOI	0.74
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.74
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.74
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.73
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.73
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.73
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.78
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.78
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.78
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.78
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.78
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.78
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.78
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.78
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.78
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.78
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.78
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.73
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.74
AC0	1-PHENYLETHANONE	A	1ZK1	0.89
AC0	1-PHENYLETHANONE	A	1ZK4	0.89
PXY	PARA-XYLENE	A	187L	0.73
PXY	PARA-XYLENE	A	225L	0.73
MBN	TOLUENE	A,B	3D7O	0.73
MBN	TOLUENE	A,B	1R1X	0.73
MBN	TOLUENE	A,B	1JLX	0.73
MBN	TOLUENE	A,B,C,D	3D17	0.73
MBN	TOLUENE	A,B	2VRL	0.73
MBN	TOLUENE	A,I	2Z3E	0.73
MBN	TOLUENE	A,B	1YZI	0.73
MBN	TOLUENE	A,B	2DN1	0.73
MBN	TOLUENE	A,B	3EN1	0.73
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.77
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.77
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.77
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.7
3PL	3-PHENYLPROPANAL	E	1Y3G	0.82
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
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.78
PYL	PHENYLETHANE	C	1B07	0.73
PYL	PHENYLETHANE	A,B	2VRM	0.73
PYL	PHENYLETHANE	A	1NHB	0.73
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.73
1LP	TRANYLCYPROMINE	A,B	1OJB	0.77
I4B	ISOBUTYLBENZENE	A	184L	0.71
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.75
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.75
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.75
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.74
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.72
N4B	N-BUTYLBENZENE	A	186L	0.73
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.78
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.78
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.78
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.78
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	0.78
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.74
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.8
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
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.74
OXE	ORTHO-XYLENE	A,B	3E0X	0.71
OXE	ORTHO-XYLENE	A	188L	0.71
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.75
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.72
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.86
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.86
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.72
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