MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03496238

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Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
PHL	L-PHENYLALANINOL	A,B	1JOH	0.71
PHL	L-PHENYLALANINOL	I	3APR	0.71
PHL	L-PHENYLALANINOL	A	1DLZ	0.71
PHL	L-PHENYLALANINOL	A	1IH9	0.71
PHL	L-PHENYLALANINOL	A	1OB4	0.71
PHL	L-PHENYLALANINOL	I	2ER6	0.71
PHL	L-PHENYLALANINOL	A	1R9U	0.71
PHL	L-PHENYLALANINOL	A	1OB7	0.71
PHL	L-PHENYLALANINOL	A,B	1OB6	0.71
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.71
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	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.75
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	0.75
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	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.73
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.71
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.86
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
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
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.72
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.72
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.76
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
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.75
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.72
SS1	1-PHENYLETHANOL	H	1UM5	0.86
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.74
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.81
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.81
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.72
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.72
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.72
B28		A,B	2E9A	0.7
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.87
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.87
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.87
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.87
PEL	2-PHENYL-ETHANOL	A	1EYW	0.87
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.87
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
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.72
RMN	(R)-MANDELIC ACID	A	1MDL	0.71
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.74
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.81
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.72
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.72
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1MGO	0.72
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1HLD	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	0.71
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.76
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.76
341	(3,5-difluorophenyl)methanol	C	3EON	0.8
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.71
FLP	FLURBIPROFEN	A,B	1CQE	0.71
FLP	FLURBIPROFEN	A,B	1EQH	0.71
FLP	FLURBIPROFEN	A,B	2AYL	0.71
FLP	FLURBIPROFEN	A	1DVT	0.71
FLP	FLURBIPROFEN	A	1R9O	0.71
ETY	4-ethylphenol	A,B,C,D	2RA6	0.72
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.75
B08		A,B	2E99	0.71
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.78
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.86
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.86
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.86
SMN	(S)-MANDELIC ACID	A	1MDL	0.71
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.73
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.71
HCI	HYDROCINNAMIC ACID	A	1TOI	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.71
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.71
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.81
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.78
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
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.7
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.75
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.75
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.76
TA2	(2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL	A,B	2IFR	0.7
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.89
2LP	2-ALLYLPHENOL	A	1OV5	0.72
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.71
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.71
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.78
CRS	M-CRESOL	A,B,C,D	1EV3	0.71
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.71
CRS	M-CRESOL	A,B	1UZ9	0.71
CRS	M-CRESOL	A,B,C,D	1ZEH	0.71
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.71
CRS	M-CRESOL	A,C,D,E	7INS	0.71
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.71
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