MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02251340

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
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.76
ETY	4-ethylphenol	A,B,C,D	2RA6	0.71
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.76
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.76
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.76
BP6	2',6'-DICHLORO-BIPHENYL-2,6-DIOL	A	1LKD	0.72
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.77
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.8
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.8
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.73
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.71
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
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.7
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.7
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.7
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.7
HCI	HYDROCINNAMIC ACID	A	1TOI	0.7
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.7
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.7
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.72
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.79
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.79
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.79
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.79
PEL	2-PHENYL-ETHANOL	A	1EYW	0.79
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.79
2LP	2-ALLYLPHENOL	A	1OV5	0.71
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.73
43M	4-CHLORO-3-METHYLPHENOL	A	2P7A	0.77
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
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	1G3M	0.7
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	2G5U	0.7
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.79
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
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.74
NE1	2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL	A,B	2G9K	0.7
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
SS1	1-PHENYLETHANOL	H	1UM5	0.76
IBP	IBUPROFEN	A	3FKX	0.71
IBP	IBUPROFEN	A,B	2BXG	0.71
IBP	IBUPROFEN	A,B	1EQG	0.71
IBP	IBUPROFEN	A,B,C	2WD9	0.71
IBP	IBUPROFEN	A	2PWS	0.71