MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02269131

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
RMN	(R)-MANDELIC ACID	A	1MDL	0.82
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.82
PYY	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE	A	1G2J	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.72
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.75
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.72
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.79
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.79
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.7
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.75
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.73
SS1	1-PHENYLETHANOL	H	1UM5	0.74
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
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.82
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.73
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.73
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A	1BW7	0.72
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,T	2VA3	0.72
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,F	2V9W	0.72
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,E,F	2VA2	0.72
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	1,2	1EEK	0.72
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.71
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.72
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.73
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
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
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B	2G92	0.72
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B,C,D	2Q1O	0.72
1NH	(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE	B	1O1S	0.75
791	2-PHENYLMALONIC ACID	A	1O4P	0.73
FFD	(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol	A,B,C,D,E,F, G,H,I,J,K,L	2PIS	0.74
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.71
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.72
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.74
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.82
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.82
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.82
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.82
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.73
PTM	ALPHA-METHYL-O-PHOSPHOTYROSINE	H,L	1JYQ	0.71
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.72
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.72
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.72
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.71
SMN	(S)-MANDELIC ACID	A	1MDL	0.82
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
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.74
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.74
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ6	0.79
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.79
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQP	0.79
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z	1VQN	0.79
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.79
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.79
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.79
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.79
HHH	(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid	A,B	2R5V	0.75
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.7
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.7
PAC	2-PHENYLACETIC ACID	B	1PNL	0.72
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.72
PAC	2-PHENYLACETIC ACID	B	1FXH	0.72
PAC	2-PHENYLACETIC ACID	A	2ISF	0.72
PAC	2-PHENYLACETIC ACID	A	2INE	0.72