MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00047726

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
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.83
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.74
341	(3,5-difluorophenyl)methanol	C	3EON	0.84
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.85
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.76
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.76
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.79
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.73
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
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.72
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.88
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.88
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.88
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.72
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.72
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.72
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.72
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.72
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.72
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.74
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.74
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.74
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.74
HCI	HYDROCINNAMIC ACID	A	1TOI	0.74
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.74
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.74
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.81
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.91
PCR	P-CRESOL	A	1JHV	0.71
PCR	P-CRESOL	A	1JHU	0.71
PCR	P-CRESOL	A,B,C,D	1DIQ	0.71
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.72
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.73
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.73
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.73
PAC	2-PHENYLACETIC ACID	B	1PNL	0.76
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.76
PAC	2-PHENYLACETIC ACID	B	1FXH	0.76
PAC	2-PHENYLACETIC ACID	A	2ISF	0.76
PAC	2-PHENYLACETIC ACID	A	2INE	0.76
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.71
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.81
SMN	(S)-MANDELIC ACID	A	1MDL	0.74
PHK	(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL	A	1MU0	0.7
PHK	(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL	A	1XRL	0.7
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.73
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.72
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.7
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.73
PYL	PHENYLETHANE	C	1B07	0.71
PYL	PHENYLETHANE	A,B	2VRM	0.71
PYL	PHENYLETHANE	A	1NHB	0.71
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.74
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.81
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.7
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
N4B	N-BUTYLBENZENE	A	186L	0.71
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.71
CRS	M-CRESOL	A,B,C,D	1EV3	0.7
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.7
CRS	M-CRESOL	A,B	1UZ9	0.7
CRS	M-CRESOL	A,B,C,D	1ZEH	0.7
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.7
CRS	M-CRESOL	A,C,D,E	7INS	0.7
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.7
8PP	2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL	A,B,C,D	1Y0G	0.71
RMN	(R)-MANDELIC ACID	A	1MDL	0.74
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.76
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.76
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.76
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.76
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.76
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.76
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.76
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.8
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.85
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.85
TA2	(2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL	A,B	2IFR	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	0.71
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.92
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.92
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.92
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.92
PEL	2-PHENYL-ETHANOL	A	1EYW	0.92
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.92
2LP	2-ALLYLPHENOL	A	1OV5	0.75
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
SS1	1-PHENYLETHANOL	H	1UM5	0.88
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.77
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.77
BRB	PARA-BROMOBENZYL ALCOHOL	A,B	1HLD	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.76
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.76
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.76
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.76
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.76
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.76
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.76
HPH	PHENYLALANINDIOL	I	1E5O	0.71
HPH	PHENYLALANINDIOL	A,B	1ODX	0.71
HPH	PHENYLALANINDIOL	A,B	1MTB	0.71
HPH	PHENYLALANINDIOL	A,B	2FGV	0.71
HPH	PHENYLALANINDIOL	A	1ODW	0.71
HPH	PHENYLALANINDIOL	A,B	2FGU	0.71
HPH	PHENYLALANINDIOL	A,B	1HXB	0.71
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.73
DHR	(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE	A,B	1E55	0.71
ETY	4-ethylphenol	A,B,C,D	2RA6	0.73
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.79
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
FPR	PROPYLBENZENE	C	1RHK	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	0.79
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
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.73
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.74
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.73
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.75
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.75
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.93
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1MGO	0.75
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1HLD	0.75
PHL	L-PHENYLALANINOL	A,B	1JOH	0.74
PHL	L-PHENYLALANINOL	I	3APR	0.74
PHL	L-PHENYLALANINOL	A	1DLZ	0.74
PHL	L-PHENYLALANINOL	A	1IH9	0.74
PHL	L-PHENYLALANINOL	A	1OB4	0.74
PHL	L-PHENYLALANINOL	I	2ER6	0.74
PHL	L-PHENYLALANINOL	A	1R9U	0.74
PHL	L-PHENYLALANINOL	A	1OB7	0.74
PHL	L-PHENYLALANINOL	A,B	1OB6	0.74
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.74