MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00517846

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
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.73
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.75
HCI	HYDROCINNAMIC ACID	A	1TOI	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.75
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.75
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.73
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.78
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.74
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.74
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.74
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.71
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.71
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.71
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.73
791	2-PHENYLMALONIC ACID	A	1O4P	0.72
IBP	IBUPROFEN	A	3FKX	0.75
IBP	IBUPROFEN	A,B	2BXG	0.75
IBP	IBUPROFEN	A,B	1EQG	0.75
IBP	IBUPROFEN	A,B,C	2WD9	0.75
IBP	IBUPROFEN	A	2PWS	0.75
ETY	4-ethylphenol	A,B,C,D	2RA6	0.76
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.73
FPR	PROPYLBENZENE	C	1RHK	0.74
CRS	M-CRESOL	A,B,C,D	1EV3	0.73
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.73
CRS	M-CRESOL	A,B	1UZ9	0.73
CRS	M-CRESOL	A,B,C,D	1ZEH	0.73
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.73
CRS	M-CRESOL	A,C,D,E	7INS	0.73
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.73
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.72
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.72
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.72
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.72
PXY	PARA-XYLENE	A	187L	0.72
PXY	PARA-XYLENE	A	225L	0.72
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.8
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.72
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.74
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.73
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.72
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.75
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	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.73
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.71
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.71
341	(3,5-difluorophenyl)methanol	C	3EON	0.72
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
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.77
2LP	2-ALLYLPHENOL	A	1OV5	0.76
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.82
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.82
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.82
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.7
B28		A,B	2E9A	0.7
I4B	ISOBUTYLBENZENE	A	184L	0.74
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.77
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.77
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.77
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.82
OXE	ORTHO-XYLENE	A,B	3E0X	0.72
OXE	ORTHO-XYLENE	A	188L	0.72
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.72
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	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	0.74
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	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.72
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	0.72
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	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.72
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.73
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.73
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.71
MBN	TOLUENE	A,B	3D7O	0.71
MBN	TOLUENE	A,B	1R1X	0.71
MBN	TOLUENE	A,B	1JLX	0.71
MBN	TOLUENE	A,B,C,D	3D17	0.71
MBN	TOLUENE	A,B	2VRL	0.71
MBN	TOLUENE	A,I	2Z3E	0.71
MBN	TOLUENE	A,B	1YZI	0.71
MBN	TOLUENE	A,B	2DN1	0.71
MBN	TOLUENE	A,B	3EN1	0.71
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.76
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
N4B	N-BUTYLBENZENE	A	186L	0.74
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.76
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.71
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
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.73
PYL	PHENYLETHANE	C	1B07	0.74
PYL	PHENYLETHANE	A,B	2VRM	0.74
PYL	PHENYLETHANE	A	1NHB	0.74
B08		A,B	2E99	0.71
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.71
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.74
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.73
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.73
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.74
SS1	1-PHENYLETHANOL	H	1UM5	0.82
PCR	P-CRESOL	A	1JHV	0.74
PCR	P-CRESOL	A	1JHU	0.74
PCR	P-CRESOL	A,B,C,D	1DIQ	0.74
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.74
BDB		A,B	1KE3	0.71
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.72
BFL		A,B	1Q4G	0.74
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.71
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.83
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.72
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.86
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.86
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.86
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.86
PEL	2-PHENYL-ETHANOL	A	1EYW	0.86
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.86