MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003183

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
AC0	1-PHENYLETHANONE	A	1ZK1	0.86
AC0	1-PHENYLETHANONE	A	1ZK4	0.86
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.72
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.83
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.83
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.78
FPR	PROPYLBENZENE	C	1RHK	0.75
BFL		A,B	1Q4G	0.71
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.72
FLP	FLURBIPROFEN	A,B	1CQE	0.72
FLP	FLURBIPROFEN	A,B	1EQH	0.72
FLP	FLURBIPROFEN	A,B	2AYL	0.72
FLP	FLURBIPROFEN	A	1DVT	0.72
FLP	FLURBIPROFEN	A	1R9O	0.72
OXE	ORTHO-XYLENE	A,B	3E0X	0.73
OXE	ORTHO-XYLENE	A	188L	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
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.79
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.75
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.75
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.75
MBN	TOLUENE	A,B	3D7O	0.72
MBN	TOLUENE	A,B	1R1X	0.72
MBN	TOLUENE	A,B	1JLX	0.72
MBN	TOLUENE	A,B,C,D	3D17	0.72
MBN	TOLUENE	A,B	2VRL	0.72
MBN	TOLUENE	A,I	2Z3E	0.72
MBN	TOLUENE	A,B	1YZI	0.72
MBN	TOLUENE	A,B	2DN1	0.72
MBN	TOLUENE	A,B	3EN1	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
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.75
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
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.75
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.75
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.75
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.75
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.75
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.75
PXY	PARA-XYLENE	A	187L	0.73
PXY	PARA-XYLENE	A	225L	0.73
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.72
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.75
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.77
3PL	3-PHENYLPROPANAL	E	1Y3G	0.82
IBP	IBUPROFEN	A	3FKX	0.72
IBP	IBUPROFEN	A,B	2BXG	0.72
IBP	IBUPROFEN	A,B	1EQG	0.72
IBP	IBUPROFEN	A,B,C	2WD9	0.72
IBP	IBUPROFEN	A	2PWS	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.75
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.75
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.75
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.75
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.75
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.75
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.75
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.75
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.75
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.76
1LP	TRANYLCYPROMINE	A,B	1OJB	0.83
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.75
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.75
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.75
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	B,C	1GG6	0.7
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	G	6GCH	0.7
HBX	benzaldehyde	A,B	3GDN	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.76
PYL	PHENYLETHANE	C	1B07	0.75
PYL	PHENYLETHANE	A,B	2VRM	0.75
PYL	PHENYLETHANE	A	1NHB	0.75
PAC	2-PHENYLACETIC ACID	B	1PNL	0.73
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.73
PAC	2-PHENYLACETIC ACID	B	1FXH	0.73
PAC	2-PHENYLACETIC ACID	A	2ISF	0.73
PAC	2-PHENYLACETIC ACID	A	2INE	0.73
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.72
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.78
N4B	N-BUTYLBENZENE	A	186L	0.75
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.83
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.83
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.83
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.83
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.83
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.72
VK3	MENADIONE	A	1TUV	0.78
VK3	MENADIONE	A,B	2QR2	0.78
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.7
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.7
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.7
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.85
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.73
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.75
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.75
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.75
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.75
PQN	PHYLLOQUINONE	0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z	1QZV	0.75