MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02283186

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
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.77
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.77
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.77
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.77
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.77
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.77
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.77
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.77
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.77
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.77
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.77
1LP	TRANYLCYPROMINE	A,B	1OJB	0.81
VK3	MENADIONE	A	1TUV	0.8
VK3	MENADIONE	A,B	2QR2	0.8
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.77
FPR	PROPYLBENZENE	C	1RHK	0.75
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.87
OXE	ORTHO-XYLENE	A,B	3E0X	0.73
OXE	ORTHO-XYLENE	A	188L	0.73
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.77
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.77
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.77
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.77
MBN	TOLUENE	A,B	3D7O	0.72
MBN	TOLUENE	A,B	1R1X	0.72
MBN	TOLUENE	A,B	1JLX	0.72
MBN	TOLUENE	A,B,C,D	3D17	0.72
MBN	TOLUENE	A,B	2VRL	0.72
MBN	TOLUENE	A,I	2Z3E	0.72
MBN	TOLUENE	A,B	1YZI	0.72
MBN	TOLUENE	A,B	2DN1	0.72
MBN	TOLUENE	A,B	3EN1	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
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	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
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.77
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.75
IBP	IBUPROFEN	A	3FKX	0.7
IBP	IBUPROFEN	A,B	2BXG	0.7
IBP	IBUPROFEN	A,B	1EQG	0.7
IBP	IBUPROFEN	A,B,C	2WD9	0.7
IBP	IBUPROFEN	A	2PWS	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.75
PXY	PARA-XYLENE	A	187L	0.73
PXY	PARA-XYLENE	A	225L	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	0.72
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.77
DEN	INDENE	A	183L	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.72
3PL	3-PHENYLPROPANAL	E	1Y3G	0.82
HBX	benzaldehyde	A,B	3GDN	0.76
I4B	ISOBUTYLBENZENE	A	184L	0.75
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
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.75
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.75
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.75
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.77
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.77
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.77
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.77
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	0.77
AC0	1-PHENYLETHANONE	A	1ZK1	0.88
AC0	1-PHENYLETHANONE	A	1ZK4	0.88
PYL	PHENYLETHANE	C	1B07	0.75
PYL	PHENYLETHANE	A,B	2VRM	0.75
PYL	PHENYLETHANE	A	1NHB	0.75
N4B	N-BUTYLBENZENE	A	186L	0.75
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.85
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.85
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.77
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
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.7
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.7
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.7
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.72
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.73
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.72
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.78
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.74
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.72