MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02175813

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
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.76
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.7
3PL	3-PHENYLPROPANAL	E	1Y3G	0.81
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.7
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.79
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.79
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.79
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.79
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	0.79
1LP	TRANYLCYPROMINE	A,B	1OJB	0.76
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.73
HCI	HYDROCINNAMIC ACID	A	1TOI	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.73
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.73
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.78
OXE	ORTHO-XYLENE	A,B	3E0X	0.74
OXE	ORTHO-XYLENE	A	188L	0.74
BDB		A,B	1KE3	0.73
HBX	benzaldehyde	A,B	3GDN	0.8
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
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.72
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.72
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.72
PYL	PHENYLETHANE	C	1B07	0.76
PYL	PHENYLETHANE	A,B	2VRM	0.76
PYL	PHENYLETHANE	A	1NHB	0.76
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.79
I4B	ISOBUTYLBENZENE	A	184L	0.74
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.72
N4B	N-BUTYLBENZENE	A	186L	0.76
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.84
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.87
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.87
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.73
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.75
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.77
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.8
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.8
PXY	PARA-XYLENE	A	187L	0.76
PXY	PARA-XYLENE	A	225L	0.76
MBN	TOLUENE	A,B	3D7O	0.76
MBN	TOLUENE	A,B	1R1X	0.76
MBN	TOLUENE	A,B	1JLX	0.76
MBN	TOLUENE	A,B,C,D	3D17	0.76
MBN	TOLUENE	A,B	2VRL	0.76
MBN	TOLUENE	A,I	2Z3E	0.76
MBN	TOLUENE	A,B	1YZI	0.76
MBN	TOLUENE	A,B	2DN1	0.76
MBN	TOLUENE	A,B	3EN1	0.76
AC0	1-PHENYLETHANONE	A	1ZK1	0.88
AC0	1-PHENYLETHANONE	A	1ZK4	0.88
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.73
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.79
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.79
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.79
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.79
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.79
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.79
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.79
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.79
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.79
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.79
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.79
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.79
VK3	MENADIONE	A	1TUV	0.84
VK3	MENADIONE	A,B	2QR2	0.84
PAC	2-PHENYLACETIC ACID	B	1PNL	0.7
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.7
PAC	2-PHENYLACETIC ACID	B	1FXH	0.7
PAC	2-PHENYLACETIC ACID	A	2ISF	0.7
PAC	2-PHENYLACETIC ACID	A	2INE	0.7
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.73
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.79
FPR	PROPYLBENZENE	C	1RHK	0.76
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.7
DEN	INDENE	A	183L	0.71
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.78
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.78
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.78
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.76
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.76
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.76
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.7
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.73
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.72
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.84
NPY	NAPHTHALENE	A,B	1O7G	0.71
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.71