MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02179014

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
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
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
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.71
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.81
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.7
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.7
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.7
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.7
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.73
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.74
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.73
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.74
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.71
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.72
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.71
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.79
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.83
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.83
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.83
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.71
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.71
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.72
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
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.76
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.74
PYL	PHENYLETHANE	C	1B07	0.71
PYL	PHENYLETHANE	A,B	2VRM	0.71
PYL	PHENYLETHANE	A	1NHB	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.74
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.84
N4B	N-BUTYLBENZENE	A	186L	0.71
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.74
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.72
HCI	HYDROCINNAMIC ACID	A	1TOI	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.72
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.72
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
1ZN	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid	C,F,M,N	2IAE	0.71
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
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.73
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.7
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.76
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.71
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.85
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.85
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.85
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.85
PEL	2-PHENYL-ETHANOL	A	1EYW	0.85
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.85
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.75
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
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.73
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.71
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.71
PAC	2-PHENYLACETIC ACID	B	1PNL	0.7
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.7
PAC	2-PHENYLACETIC ACID	B	1FXH	0.7
PAC	2-PHENYLACETIC ACID	A	2ISF	0.7
PAC	2-PHENYLACETIC ACID	A	2INE	0.7
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.73
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.73
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.73
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.8
PHL	L-PHENYLALANINOL	A,B	1JOH	0.73
PHL	L-PHENYLALANINOL	I	3APR	0.73
PHL	L-PHENYLALANINOL	A	1DLZ	0.73
PHL	L-PHENYLALANINOL	A	1IH9	0.73
PHL	L-PHENYLALANINOL	A	1OB4	0.73
PHL	L-PHENYLALANINOL	I	2ER6	0.73
PHL	L-PHENYLALANINOL	A	1R9U	0.73
PHL	L-PHENYLALANINOL	A	1OB7	0.73
PHL	L-PHENYLALANINOL	A,B	1OB6	0.73
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.73
SS1	1-PHENYLETHANOL	H	1UM5	0.83
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.8
FPR	PROPYLBENZENE	C	1RHK	0.71
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.73
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.75
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.72
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.72
341	(3,5-difluorophenyl)methanol	C	3EON	0.71