MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02550445

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
IBP	IBUPROFEN	A	3FKX	0.73
IBP	IBUPROFEN	A,B	2BXG	0.73
IBP	IBUPROFEN	A,B	1EQG	0.73
IBP	IBUPROFEN	A,B,C	2WD9	0.73
IBP	IBUPROFEN	A	2PWS	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.72
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	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.73
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	0.73
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	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.73
BFL		A,B	1Q4G	0.71
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.73
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.88
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.74
EST	ESTRADIOL	A,B	1GWR	0.7
EST	ESTRADIOL	A	1FDS	0.7
EST	ESTRADIOL	A,B,C	1G50	0.7
EST	ESTRADIOL	A,B,C,D,E,F	1ERE	0.7
EST	ESTRADIOL	A,B	1A52	0.7
EST	ESTRADIOL	A	1FDT	0.7
EST	ESTRADIOL	A	2OCF	0.7
EST	ESTRADIOL	A,B,C	1QKU	0.7
EST	ESTRADIOL	A,B,C,D,L	1E6W	0.7
EST	ESTRADIOL	A	1IOL	0.7
EST	ESTRADIOL	H	1JNN	0.7
EST	ESTRADIOL	B	1QKT	0.7
EST	ESTRADIOL	A	1FDW	0.7
EST	ESTRADIOL	A,B	1AQU	0.7
EST	ESTRADIOL	A	1LHU	0.7
EST	ESTRADIOL	A	1A27	0.7
EST	ESTRADIOL	L	1JGL	0.7
EST	ESTRADIOL	A,B,E,F	1PCG	0.7
EST	ESTRADIOL	A,B,C,D	1FDU	0.7
EST	ESTRADIOL	A	2J7X	0.7
EST	ESTRADIOL	A,B	2D06	0.7
B08		A,B	2E99	0.7
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
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.8
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.7
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.72
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	0.72
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A	1BW7	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,T	2VA3	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,F	2V9W	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,E,F	2VA2	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	1,2	1EEK	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.72
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.72
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.83
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.83
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.83
341	(3,5-difluorophenyl)methanol	C	3EON	0.77
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.78
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.74
FLP	FLURBIPROFEN	A,B	1CQE	0.74
FLP	FLURBIPROFEN	A,B	1EQH	0.74
FLP	FLURBIPROFEN	A,B	2AYL	0.74
FLP	FLURBIPROFEN	A	1DVT	0.74
FLP	FLURBIPROFEN	A	1R9O	0.74
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.73
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
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.71
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.75
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.84
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.84
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.84
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.84
PEL	2-PHENYL-ETHANOL	A	1EYW	0.84
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.84
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.7
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.7
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.7
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.76
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.75
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.75
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.72
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.72
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.75
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.71
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.78
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.78
SS1	1-PHENYLETHANOL	H	1UM5	0.83
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.76
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.73
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.75
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.83
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.71