MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011459

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
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.79
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.71
1LP	TRANYLCYPROMINE	A,B	1OJB	0.81
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.85
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.85
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.85
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.85
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.85
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.75
HCI	HYDROCINNAMIC ACID	A	1TOI	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.75
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.75
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.82
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.82
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.74
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.74
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.74
I4B	ISOBUTYLBENZENE	A	184L	0.72
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.74
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.73
FPR	PROPYLBENZENE	C	1RHK	0.74
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.77
PXY	PARA-XYLENE	A	187L	0.72
PXY	PARA-XYLENE	A	225L	0.72
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.73
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.71
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.73
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.73
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.73
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.73
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.74
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.71
AC0	1-PHENYLETHANONE	A	1ZK1	0.85
AC0	1-PHENYLETHANONE	A	1ZK4	0.85
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.74
260	2-(bromomethyl)-1,3-difluorobenzene	X	2RB0	0.71
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.73
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.73
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.73
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.73
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.73
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.73
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.73
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.73
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.73
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.73
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.73
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.82
OXE	ORTHO-XYLENE	A,B	3E0X	0.72
OXE	ORTHO-XYLENE	A	188L	0.72
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.78
MBN	TOLUENE	A,B	3D7O	0.71
MBN	TOLUENE	A,B	1R1X	0.71
MBN	TOLUENE	A,B	1JLX	0.71
MBN	TOLUENE	A,B,C,D	3D17	0.71
MBN	TOLUENE	A,B	2VRL	0.71
MBN	TOLUENE	A,I	2Z3E	0.71
MBN	TOLUENE	A,B	1YZI	0.71
MBN	TOLUENE	A,B	2DN1	0.71
MBN	TOLUENE	A,B	3EN1	0.71
PAC	2-PHENYLACETIC ACID	B	1PNL	0.75
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.75
PAC	2-PHENYLACETIC ACID	B	1FXH	0.75
PAC	2-PHENYLACETIC ACID	A	2ISF	0.75
PAC	2-PHENYLACETIC ACID	A	2INE	0.75
N4B	N-BUTYLBENZENE	A	186L	0.74
PYL	PHENYLETHANE	C	1B07	0.74
PYL	PHENYLETHANE	A,B	2VRM	0.74
PYL	PHENYLETHANE	A	1NHB	0.74
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.74
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.77
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.7
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.71
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
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.71
HBX	benzaldehyde	A,B	3GDN	0.78
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.73
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.73
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.73
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.73
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	0.73
3PL	3-PHENYLPROPANAL	E	1Y3G	0.84
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.75
VK3	MENADIONE	A	1TUV	0.77
VK3	MENADIONE	A,B	2QR2	0.77