MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049909

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
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.76
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.73
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.74
FPR	PROPYLBENZENE	C	1RHK	0.75
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.73
BDB		A,B	1KE3	0.74
OXE	ORTHO-XYLENE	A,B	3E0X	0.73
OXE	ORTHO-XYLENE	A	188L	0.73
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
VK3	MENADIONE	A	1TUV	0.83
VK3	MENADIONE	A,B	2QR2	0.83
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.79
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.8
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
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.76
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
PXY	PARA-XYLENE	A	187L	0.75
PXY	PARA-XYLENE	A	225L	0.75
MBN	TOLUENE	A,B	3D7O	0.75
MBN	TOLUENE	A,B	1R1X	0.75
MBN	TOLUENE	A,B	1JLX	0.75
MBN	TOLUENE	A,B,C,D	3D17	0.75
MBN	TOLUENE	A,B	2VRL	0.75
MBN	TOLUENE	A,I	2Z3E	0.75
MBN	TOLUENE	A,B	1YZI	0.75
MBN	TOLUENE	A,B	2DN1	0.75
MBN	TOLUENE	A,B	3EN1	0.75
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
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.76
NPY	NAPHTHALENE	A,B	1O7G	0.72
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.73
AC0	1-PHENYLETHANONE	A	1ZK1	0.89
AC0	1-PHENYLETHANONE	A	1ZK4	0.89
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
DEN	INDENE	A	183L	0.7
3PL	3-PHENYLPROPANAL	E	1Y3G	0.82
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	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
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.78
HBX	benzaldehyde	A,B	3GDN	0.81
I4B	ISOBUTYLBENZENE	A	184L	0.73
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.7
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.86
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.71
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
PYL	PHENYLETHANE	C	1B07	0.75
PYL	PHENYLETHANE	A,B	2VRM	0.75
PYL	PHENYLETHANE	A	1NHB	0.75
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.72
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
N4B	N-BUTYLBENZENE	A	186L	0.75
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.74
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.76
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
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
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.7
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.91
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.91
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.82
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.77
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.77
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.77
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.7
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.83